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N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine

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Identification
Molecular formula
C13H16N2S2
CAS number
104974-15-6
IUPAC name
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
State
State

At room temperature, N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine is typically found in a solid state.

Melting point (Celsius)
178.50
Melting point (Kelvin)
451.65
Boiling point (Celsius)
436.12
Boiling point (Kelvin)
709.27
General information
Molecular weight
272.41g/mol
Molar mass
272.4080g/mol
Density
1.2400g/cm3
Appearence

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine typically appears as a solid. The color and texture can vary, but it is often found in a crystalline form.

Comment on solubility

Solubility of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine exhibits unique solubility characteristics due to its molecular structure. The solubility of this compound is influenced by several key factors:

  • Polarity: The presence of both a benzothiazole and cyclohexanamine moiety contributes to its solubility profile. While benzothiazole has some polar characteristics, the overall structure leans towards non-polar due to the cyclohexane ring.
  • Solvent Interaction: N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine is more likely to dissolve in organic solvents such as ethanol or dichloromethane, rather than in polar solvents like water.
  • Hydrogen Bonding: The amine group allows for hydrogen bonding interactions, which can enhance solubility in certain situations where compatible solvents are used.

For practical applications, it is essential to consider that:

  1. The compound is generally poorly soluble in cold water.
  2. Increasing temperature may improve solubility slightly, depending on the solvent used.
  3. Utilizing co-solvents can significantly modify its solubility behavior.

In summary, the solubility of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine is dictated by its molecular structure and the environment in which it is placed. Understanding these properties can aid in its effective use in various chemical applications.

Interesting facts

Interesting Facts about N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine is a fascinating compound that combines elements of both organic chemistry and medicinal chemistry into a single molecule. Here are some intriguing aspects that make this compound noteworthy:

  • Structure and Composition: This compound features a cyclic amine (cyclohexanamine) linked to a benzothiazole moiety. The incorporation of sulfur within the structure adds an interesting dimensionality to its chemical properties.
  • Biological Relevance: Benzothiazole derivatives are often studied for their potential pharmacological properties, including anti-cancer and anti-inflammatory activities. This makes the compound an interesting subject in drug design and development.
  • Versatile Applications: Its unique structural configuration can serve various purposes, particularly in:
    • Pharmaceutical research
    • Material sciences
    • Agricultural chemistry (as potential agrochemicals)
  • Synthesis Challenges: Synthesizing compounds like this one can pose significant challenges due to the need for precise control of reaction conditions. This adds to the excitement of laboratory work as chemists explore new methods to create and manipulate these molecules.
  • Potential Insights: Understanding how changes to the benzothiazole or cyclohexanamine parts affect biological activity can lead to valuable insights in medicinal chemistry. The structure-activity relationship (SAR) of such compounds is a vital area of study.

Overall, N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine stands as a testament to the complexities of chemical synthesis and the endless possibilities in the field of medicinal chemistry. As researchers continue to explore its potential, we stay at the forefront of advancing our understanding of this intriguing compound.

Synonyms
95-33-0
N-Cyclohexyl-2-benzothiazolesulfenamide
Thiohexam
N-Cyclohexyl-2-benzothiazolylsulfenamide
Accelerator CZ
Santocure
Sulfenax
Durax
Santocure Powder
Vulkacit CZ
Santocure Pellets
Conac A
Curax
Sulfenamide Ts
Vulcafor hbs
Soxinol cz
Vulkacit c
Sulfenax cb/k
Sulfenax TsB
Vulkacit cz/c
Vulkacit cz/k
Vulkacite CZ
Nocceler CZ
Sulfenax CB
Accicure HBS
Vulcafor CBS
Conac S
Delac S
Ekagom CBS
Pennac CBS
Sanceler CM-PO
Royal CBTS
Rhodifax 16
N-Cyclohexyl-2-benzothiazylsulfenamide
Sulfenax CB 30
2-(Cyclohexylaminothio)benzothiazole
2-Benzothiazolesulfenamide, N-cyclohexyl-
N-Cyclohexylbenzothiazole-2-sulfenamide
Sufenax cb
Benzothiazyl-2-cyclohexylsulfenamide
N-Cyclohexyl-2-benzothiazosulfenamide
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
Cyclohexyl benzothiazolesulfenamide
Santocure vulcanization accelerator
CCRIS 4910
HSDB 2868
N-Cyclohexyl-2-benzothiazole sulfenamide
Vulkacit cz/eg
Perkacit CBS
Akrochem CBTS
Ekaland CBS
UNII-UCA53G94EV
NSC 4809
Sanceler CM-G
Banac CBS
EINECS 202-411-2
Vulkacit CZ/EG-C
BRN 0192376
CBTS
N-Cyclohexylbenzothiazole-2-sulphenamide
ACCELERATOR CBS
DTXSID5020360
AI3-16782
2-Benzenethiazolesulfenamide, N-cyclohexyl-
NSC-4809
UCA53G94EV
DTXCID50360
CBS, N-Cyclohexyl-2-benzothiazolesulfenamide
DEQZTKGFXNUBJL-UHFFFAOYSA-
Cyclohexylbenzothiazyl sulphenamide
EC 202-411-2
N-Cyclohexylbenzothiazoylsulfenamide
Cyclohexyl benzothiazole sulfenamide
4-27-00-01867 (Beilstein Handbook Reference)
N-Cyclohexylbenzothiazyl sulphenamide
N-Cyclohexyl-2-benzthiazyl sulfenamide
N-Cyclohexyl-2-benzthiazyl sulfonamide
N-Cyclohexyl-2-benzothiazolylsulfonamide
N-Cyclohexyl-2-benzothiazyl sulphenamide
NCGC00159502-02
N-CYCLOHEXYLBENZOTHIAZYL-SULPHENAMIDE
N-(1,3-benzothiazol-2-ylthio)cyclohexanamine
Conac H
2-(CYCLOHEXYLAMINOTHIO)BENZOTHIAZOLE [HSDB]
NSC 4809; Nocceler CZ; Accelerator CZ; Accicure HBS
CAS-95-33-0
SMR001798878
Sanceler CMPO
N-cyclohexyl-2-benzothiazyl sulfenamide
SCHEMBL80270
MLS004773968
MLS006010082
CHEMBL1591074
Benzothiazyl2cyclohexylsulfenamide
NSC4809
NCyclohexyl2benzothiazylsulfenamide
2(Cyclohexylaminothio)benzothiazole
Cyclohexylbenzothiazolylsulphenamide
NCyclohexyl2benzothiazolesulfenamide
NCyclohexylbenzothiazole2sulphenamide
Tox21_111721
Tox21_202436
Tox21_302924
MFCD00022872
MSK001857
n-cyclohexylbenzothiazol-2-sulfenamid
AKOS003658709
DB14200
FC43991
HY-W020755
WLN: T56 BN DSJ CSM- AL6TJ
2Benzenethiazolesulfenamide, Ncyclohexyl
NCGC00159502-03
NCGC00159502-04
NCGC00256366-01
NCGC00259985-01
AS-15575
1ST001857
DB-057577
MSK001857-1000
CS-0040170
NS00006793
E80913
SBI-0654655.0001
EN300-7402242
1ST001857-1000
Q4445828
BRD-K64191834-001-03-1
S-(1,3-Benzothiazol-2-yl)-N-cyclohexylthiohydroxylamine
S-(Benzo[d]thiazol-2-yl)-N-cyclohexylthiohydroxylamine
S-(1,3-Benzothiazol-2-yl)-N-cyclohexylthiohydroxylamine #
[(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
2-(Cyclohexylaminothio)benzothiazole; Benzothiazyl-2-cyclohexylsulfenamide; N-(1,3-Benzothiazol-2-ylsulfanyl)cyclohexanamine