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N-Benzylcysteine

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Identification
Molecular formula
C12H15NO3S
CAS number
77743-96-5
IUPAC name
2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid
State
State

At room temperature, N-Benzylcysteine is in a solid state, specifically forming crystalline powders that are not hygroscopic in nature.

Melting point (Celsius)
117.00
Melting point (Kelvin)
390.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
225.32g/mol
Molar mass
225.2800g/mol
Density
1.2300g/cm3
Appearence

N-Benzylcysteine typically appears as a white to off-white crystalline powder. Its appearance may vary slightly based on purity and form (hydrated vs. anhydrous), but it is generally a solid substance with a crystalline nature.

Comment on solubility

Solubility of 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid

The solubility of 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid (C12H15NO3S) can be assessed based on its chemical structure and functional groups. This compound contains several key elements which influence its solubility:

  • Polar functional groups: The presence of an amino group (-NH2) and carboxylic acid group (-COOH) can enhance solubility in polar solvents, especially water.
  • Non-polar regions: The benzyl group and the propanoyl portion may contribute to hydrophobic interactions, which can limit solubility in water.
  • Thiol group: The sulfanyl (-SH) component can provide unique solubility characteristics due to its ability to form hydrogen bonds.

In general, compounds with mixed polar and non-polar characteristics, such as this one, can show moderate solubility behavior. The balance between hydrophilic and hydrophobic regions dictates whether the compound will prefer aqueous or organic solvents. For instance:

  1. High solubility: Typically observed in polar solvents like water or alcohols due to hydrophilic groups.
  2. Limited solubility: May occur in non-polar solvents when the hydrophobic characteristics dominate.
  3. Solubility enhancement: Can sometimes be achieved through salt formation or complexation with other agents.

Thus, while 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid may dissolve in certain solvents, its overall solubility profile is likely a combination of its structural features, resulting in unique interactions with various solvents.

Interesting facts

Interesting Facts about 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid

2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid is a fascinating compound that holds a variety of potential applications in both medicinal chemistry and biochemistry. Here are some notable aspects:

  • Pharmaceutical Potential: This compound is being explored for its role as a potential drug candidate. Its structural features suggest it may exhibit bioactive properties, which could be beneficial in the development of treatments for various diseases.
  • Unique Structure: The presence of a sulfanyl group within its structure distinguishes this compound from many others. Sulfur-containing compounds are often recognized for their unique reactivity and ability to form various bonds, making them crucial in many chemical reactions.
  • Natural Amino Acid Analogs: The compound can be seen as an analog of natural amino acids. Its structure may mimic certain biological molecules, thereby influencing biochemical pathways or interactions within living organisms.
  • Applications in Biochemistry: Researchers are investigating how this compound can affect enzyme activity. The possibility of acting as an enzyme inhibitor or modulator opens new avenues for biochemical research and therapeutic applications.
  • Research Directions: Several studies are ongoing to fully understand the pharmacodynamics and pharmacokinetics of this compound, which are essential for determining its overall safety and efficacy in medical applications.

With ongoing research, 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid continues to pique the interest of scientists and researchers alike. The combination of its structural uniqueness and potential therapeutic benefits makes it a compound worth further exploration.

Synonyms
THIORPHAN
dl-thiorphan
76721-89-6
2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid
2-(2-Benzyl-3-mercaptopropanamido)acetic acid
(+/-)-Thiorphan
MFCD00058435
NSC-727676
DL-3-Mercapto-2-benzylpropanoylglycine
B79L7B5X3Z
Glycine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-, (+-)-
CHEMBL10247
(DL-3-Mercapto-2-benzylpropanoyl)-Gly-OH
CHEBI:9568
DTXSID70868412
NSC 727676
Tiorphan
RACECADOTRIL IMPURITY B [EP IMPURITY]
(+/-)-N-(3-Mercapto-2-benzylpropionyl)glycine
GLYCINE, N-(2-(MERCAPTOMETHYL)-1-OXO-3-PHENYLPROPYL)-
RACECADOTRIL IMPURITY B (EP IMPURITY)
XJ8Z52GK3X
SR-01000076164
(3-Mercapto-2-benzylpropionyl)glycine
UNII-B79L7B5X3Z
n-(2-benzyl-3-sulfanylpropanoyl)glycine
Thiorphan (DL)
Glycine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-, (+/-)-; (+/-)-Thiorphan; DL-Thiorphan; N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]glycine; Thiorphan
Prestwick_694
Prestwick0_000633
Prestwick1_000633
Prestwick2_000633
Prestwick3_000633
Lopac0_001139
BSPBio_000626
BSPBio_001543
KBioGR_000263
KBioSS_000263
MLS002153923
SCHEMBL401174
SPBio_002845
BPBio1_000690
BDBM21641
KBio2_000263
KBio2_002831
KBio2_005399
KBio3_000525
KBio3_000526
DTXCID20816524
LJJKNPQAGWVLDQ-UHFFFAOYSA-N
Bio2_000263
Bio2_000743
DL-Thiorphan, >=98% (TLC)
HMS1361N05
HMS1569P08
HMS1791N05
HMS1989N05
HMS2096P08
HMS2230G03
HMS3263D19
HMS3373F16
HMS3402N05
HMS3713P08
BBC29768
Tox21_501139
NSC727676
AKOS024257670
CCG-205213
CS-W014091
FD21637
FT28239
HY-W013375
LP01139
SDCCGSBI-0051106.P003
IDI1_034013
SMP2_000064
DL-3-Mercapto-2-benzylpropanoyl)glycine
DL-Thiorphan - CAS 76721-89-6
NCGC00016033-02
NCGC00016033-03
NCGC00016033-04
NCGC00016033-05
NCGC00016033-06
NCGC00016033-11
NCGC00094405-01
NCGC00094405-02
NCGC00094405-03
NCGC00094405-04
NCGC00261824-01
AS-79321
DA-68161
Neprilysin/neutral endopeptidase inhibitor
SMR001233267
SY066996
EU-0101139
2-(2-benzyl-3-sulfanylpropanamido)acetic acid
C01619
T 6031
Q7784695
SR-01000076164-1
SR-01000076164-5
2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid
BRD-A56012032-001-06-4
BRD-A56012032-001-14-8
BRD-A56012032-001-15-5
N-((RS)-2-BENZYL-3-MERCAPTOPROPANOYL)-GLYCINE
(((2RS)-2-BENZYL-3-SULFANYLPROPANOYL)AMINO)ACETIC ACID
N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]glycine;2-Mercaptomethyl-3-phenylpropionylaminoacetic acid;D,L-3-Mercapto-2-benzylpropano ylglycine