N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine

Basic Information

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CAS Number

65002-17-7

Molecular Formula

C7H13NO3S2

Molecular Weight

223.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

119-123°C

Density

1.3934 (rough estimate)

Refractive Index

1.6370 (estimate)

Specific Rotation

D25 +32.3° (c = 1.0 in ethanol)

SMILES

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CC(C)(C(=O)NC(CS)C(=O)O)S

InChI

InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1

InChIKey

VUAFHZCUKUDDBC-BYPYZUCNSA-N

LogP

0.19400000000000017

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

218

Safety Information

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Toxicity

LD50 in mice (mg/kg): 2285 i.p.; 989.6 i.v. (Fujita, 1981)

Synonyms & References

English

bucillamine
SR-01000883966
BUCILLAMINE [JAN]
De-019
Tiobutarit
(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
CHEMBL80830
NCGC00182062-02
R80LRA5WTF
RB3025
Tox21_112916
A834941
N-(2-Mercapto-2-methylpropionyl)-L-cysteine
Bucillaminum
Bucilamina [Spanish]
MLS006010100
SMR004701240
SR-01000883966-1
Bucillamine [INN:JAN]
Bucillaminum [Latin]
BUCILLAMINE [MART.]
AKOS015895462
(2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid
CCRIS 5260
(2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid
BUCILLAMINE [MI]
Bucilamina
Tox21_113147
DTXSID2048587
AC-32465
VUAFHZCUKUDDBC-BYPYZUCNSA-N

MDL Number

MFCD00867570

Customs Code

2930909090

FAQ

What regulatory guidelines apply to N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7)?

N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) is subject to various regulatory guidelines, including GHS classification for hazards, REACH regulations for European market compliance, and FDA and EPA requirements for safety and environmental protection. Ensure all handling and disposal procedures adhere to local and international regulations.

Are there alternatives to N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) in synthesis?

Alternatives to N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) include related compounds like N-(2-Methylpropanoyl)-L-cysteine and analogs such as N-(2-Fluoropropanoyl)-L-cysteine. Common alternative reagents in synthesis might include acetic anhydride or propionic anhydride as substitutes.

What is the market or research trend for N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7)?

The market for N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) is seeing growth driven by its applications in pharmaceuticals and biotechnology. Research trends focus on its use in drug discovery and development, particularly in cancer and inflammatory diseases. Price trends indicate steady demand with minor fluctuations.

How should waste containing N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) be handled?

Waste containing N-(2-Methyl-2-sulfanylpropanoyl)-L-cysteine (CAS: 65002-17-7) should be collected in appropriate containers and properly labeled. For disposal, incineration is recommended, and professional waste disposal services should be utilized. Follow local regulations for hazardous waste management and ensure environmental protection measures are in place to minimize ecological impact.