[(N-Benzoyl-D-alanyl)sulfanyl]acetic acid

Basic Information

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CAS Number

138079-74-0

Molecular Formula

C12H13NO4S

Molecular Weight

267.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

433°C at 760 mmHg

Density

g/cm3

Flash Point

215.7°C

SMILES

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CC(C(=O)SCC(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H13NO4S/c1-8(12(17)18-7-10(14)15)13-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)/t8-/m1/s1

InChIKey

OEJDVGZWJKPUDA-MRVPVSSYSA-N

LogP

1.1492999999999995

Topological Polar Surface Area

83.47 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

326

Synonyms & References

English

((R)-2-Benzoylamino-propionylsulfanyl)-acetic acid
CS-0186116
N-Benzoyl-D-alanylthioglycolic acid
CHEMBL315314
(R)-2-((2-Benzamidopropanoyl)thio)acetic acid
138079-74-0
N-Benzoyl-D-alanylmercaptoacetic acid
SCHEMBL9190032
2-((benzoyl-D-alanyl)thio)acetic acid
Z2037280491
Acetic acid, 2-[[(2R)-2-(benzoylamino)-1-oxopropyl]thio]-
AKOS016010950
BDBM50081035
A909587
MFCD00950038
(R)-2-(2-benzamidopropanoylthio)acetic acid
Acetic acid,2-[[(2R)-2-(benzoylamino)-1-oxopropyl]thio]-
N-BENZOYL-D-ALANYLTHIOGLYCOLIC ACID
(((2R)-2-(BENZOYLAMINO)-1-OXOPROPYL)THIO)-ACETIC ACID
(R)-CARBOXYMETHYL-N-BENZOYLTHIOLALANINATE
benzoyl-alanyl-thioglycolic acid
Aceticacid, [[(2R)-2-(benzoylamino)-1-oxopropyl]thio]- (9CI)
Acetic acid,[[2-(benzoylamino)-1-oxopropyl]thio]-, (R)-
SB 214752

MDL Number

MFCD00950038

Customs Code

2930909090

FAQ

What regulatory guidelines apply to [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0)?

[(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulations in the EU, and FDA/EPA guidelines in the United States. Manufacturers and distributors must ensure compliance with these regulations for proper labeling, storage, and handling.

Are there alternatives to [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) in synthesis?

Alternatives to [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) in synthesis include other peptides or sulfur-containing analogs. Commonly, researchers consider using N-benzoyl-D-alanine or related compounds as substitutes based on similar reactivity and structural properties.

What is the market or research trend for [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0)?

Market trends for [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) show increasing interest in its applications in pharmaceuticals and agrochemicals due to its bioactivity. Research is focusing on its potential as a biopesticide and as an antimicrobial agent, with price trends reflecting growing demand in these sectors.

How should waste containing [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) be handled?

Waste containing [(N-Benzoyl-D-alanyl)sulfanyl]acetic acid (CAS: 138079-74-0) should be collected in sealed, leak-proof containers and disposed of through professional waste disposal services. Proper incineration or chemical treatment is recommended to ensure environmental safety, following local and international waste management regulations.