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Etomidate

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Identification
Molecular formula
C6H13NO4P
CAS number
82-51-3
IUPAC name
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
State
State

At room temperature, this compound is in a solid crystalline state.

Melting point (Celsius)
90.00
Melting point (Kelvin)
363.15
Boiling point (Celsius)
386.70
Boiling point (Kelvin)
659.85
General information
Molecular weight
244.31g/mol
Molar mass
244.3100g/mol
Density
1.6948g/cm3
Appearence

The compound appears as a white to off-white crystalline solid.

Comment on solubility

Solubility of 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

The compound 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one, with the chemical formula C6H13NO4P, exhibits intriguing solubility characteristics that are worth noting.

Solubility Profile

  • Polar vs. Non-Polar Solvents: This compound is expected to demonstrate greater solubility in polar solvents due to the presence of functional groups such as dimethoxy and thioyl, which can interact favorably with polar environments.
  • Temperature Effects: Solubility may increase with temperature, a common behavior for many compounds, allowing for enhanced dissolution in suitable solvents.
  • pH Dependence: The solubility might also vary with pH, influenced by the stability of the functional groups under different acidic or basic conditions.

To summarize, the solubility of this compound is determined by several factors:

  • Molecular Interactions: The interactions of polar functional groups.
  • Environmental Conditions: External factors like temperature and pH levels.
  • Choice of Solvent: The nature of the solvent plays a crucial role in solubility.

Understanding these solubility properties is essential for applications in various fields, particularly in drug formulation and material science, providing insight into its behavior in different environments.

Interesting facts

Interesting Facts about 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

This compound, with its complex structure, is a fascinating topic of study in both organic and medicinal chemistry. Below are some intriguing aspects of 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one:

  • Multi-functional Compound: This molecule incorporates different functional groups, highlighting its versatility. The combination of a benzotriazinone ring with a phosphorus-containing group makes it particularly interesting for chemical synthesis.
  • Potential Applications: Due to its unique structure, this compound may possess biological activity. Compounds with similar frameworks are often investigated for their potential as pharmaceuticals, especially as antimicrobial or anticancer agents.
  • Phosphorus Chemistry: The presence of a phosphorus atom indicates that this compound is likely to participate in various chemical reactions typical of organophosphorus compounds. These reactions can lead to the formation of new materials with unique properties.
  • Thioether Linkage: The thioylsulfanylmethyl moiety introduces the possibility for interesting interactions with biological systems and can influence its reactivity significantly.
  • Synthetic Interest: Researchers may find the synthesis of this compound challenging yet rewarding, as it involves multiple steps and the careful manipulation of reagents to achieve the desired product.

In conclusion, 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is not just another chemical compound; it embodies the complexities and possibilities that come with modern chemical research. As such, it serves as an excellent case study for students and scientists interested in the fields of organic synthesis and medicinal chemistry.

Synonyms
Azinphos-methyl
Azinphosmethyl
azinphos methyl
86-50-0
Guthion
Azinphos
Methylazinphos
Methylgusathion
Metiltriazotion
Crysthyon
Carfene
Cotneon
Cotnion
Cotnion methyl
Gusathion M
Gusathion Methyl
Crysthion 2L
Gusathion 25
Gusathion-20
Azinphos-metile
METHYL GUTHION
Azinfos-Methyl
Bayer 9027
Bayer 17147
NCI-C00066
BAY 9027
BAY 17147
ENT 23,233
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
O,O-Dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate
Phosphorodithioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester
R 1582
Benzotriazinedithiophosphoric acid dimethoxy ester
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
O,O-Dimethyl-S-(benzaziminomethyl) dithiophosphate
Dimethyldithiophosphoric acid N-methylbenzazimide ester
N-Methylbenzazimide, dimethyldithiophosphoric acid ester
CHEBI:2953
DTXSID3020122
O,O-Dimethyl S-(4-oxobenzotriazino-3-methyl)phosphorodithioate
265842EWUV
O,O-Dimethyl S-(4-oxo-1,2,3-benzotriazino(3)-methyl) thiothionophosphate
O,O-Dimethyl S-(4-oxo-3H-1,2,3-benzotriazine-3-methyl)phosphorodithioate
O,O-Dimethyl-S-(1,2,3-benzotriazinyl-4-keto)methyl phosphorodithioate
o,o-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate
O,O-Dimethyl S-4-oxo-1,2,3-benzotriazin-3(4H)-ylmethyl phosphorodithioate
1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate
3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester
Metazintox
O,O-Dimethyl-S-(4-oxobenzotriazin-3-methyl)-dithiophosphat
O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate
O,O-Dimethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiofosfaat
O,O-Dimethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiophosphat
O,O-Dimetil-S-((4-oxo-3H-1,2,3-benzotriazin-3-il)-metil)-ditiofosfato
Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
Phosphorodithioic acid, O,O-dimethylS-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
DTXCID10122
Caswell No. 374
Methyltriazotin
Gothnion
Azinfos-methyl [Dutch]
Azinophos-methyl
Methyl gusathion
Azinphos-metile [Italian]
3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate
CAS-86-50-0
CCRIS 63
Azinphos-methyl [BSI:ISO]
EPA Shaughnessy #058001
HSDB 1171
Azinphos-methyl [ISO]
EINECS 201-676-1
EPA Pesticide Chemical Code 058001
BRN 0280476
Azinugec
UNII-265842EWUV
AI3-23233
O,O-DIMETHYL S-((4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)METHYL) PHOSPHORODITHIOATE
Benzotriazine derivative of a methyl dithiophosphate
Spectrum_001769
SpecPlus_000352
3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one
Spectrum2_001846
Spectrum3_000806
Spectrum4_000646
Spectrum5_001925
O,O-Dimethyl-S-(4-oxobenzotriazin-3-methyl)-dithiophosphat [German]
O,O-Dimethyl S-(4-oxo-1,2,3-benzotriazino(3)-methyl)thiothionophosphate
O,O-Dimethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiofosfaat [Dutch]
O,O-Dimethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiophosphat [German]
O,O-Dimetil-S-((4-oxo-3H-1,2,3-benzotriazin-3-il)-metil)-ditiofosfato [Italian]
S-(3,4-Dihydro-4-oxo-benzo(alpha)(1,2,3)triazin-3-ylmethyl) O,O-dimethyl phosphorodithioate
S-3,4-Dihydro-4-oxobenzo(d)(1,2,3)triazin-3-ylmethyl O,O-dimethyl phosphorodithioate
SCHEMBL27791
AZINPHOS-METHYL [MI]
BSPBio_002271
KBioGR_000991
KBioSS_002250
SPECTRUM330013
MLS002695975
DivK1c_006448
SPBio_001632
AZINPHOS-METHYL [HSDB]
CHEMBL530115
CJJOSEISRRTUQB-UHFFFAOYSA-
KBio1_001392
KBio2_002249
KBio2_004817
KBio2_007385
KBio3_001771
HMS3089C06
EX-A2861
Tox21_201965
Tox21_300929
CCG-39384
AKOS015902796
O,O-Dimethyl phosphorodithioate S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
S-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl) O,O-dimethyl phosphorodithioate
NCGC00091883-01
NCGC00091883-02
NCGC00091883-03
NCGC00091883-04
NCGC00091883-05
NCGC00091883-06
NCGC00091883-07
NCGC00091883-08
NCGC00178729-01
NCGC00254831-01
NCGC00259514-01
SMR000777867
Azinphos-methyl 1000 microg/mL in Acetone
DB-056931
Azinphos-methyl 10 microg/mL in Cyclohexane
NS00010876
Azinphos-methyl 100 microg/mL in Cyclohexane
Q418031
Azinphos-methyl, PESTANAL(R), analytical standard
BRD-K21893543-001-02-8
O,O-dimethy-S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]phosphorodithioate
O,O-Dimethyl S-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-methyl) dithiophosphate
O,O-dimethyl S-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl phosphorodithioate
O,O-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate #
S-(3,4-Dihydro-4-oxobenzo[d]-[1,2,3]-triazin-3-ylmethyl)OO-dimethyl-phosphorodithioate
s-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl o,o-dimethyl phosphorodithioate
InChI=1/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3