(METHYLTHIO)ACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H6O2S
Molecular Weight	106.144
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC(O)=O

InChI

InChIKey=HGTBAIVLETUVCG-UHFFFAOYSA-N

InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)

HIDE SMILES / InChI

Molecular Formula	C3H6O2S
Molecular Weight	106.144
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Structure of the transition state analog of medium-chain acyl-CoA dehydrogenase. Crystallographic and molecular orbital studies on the charge-transfer complex of medium-chain acyl-CoA dehydrogenase with 3-thiaoctanoyl-CoA.	2003 Aug	12966080
Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry.	2010 Dec 17	21094391

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:07:32 GMT 2023` Edited by `admin` on `Fri Dec 15 18:07:32 GMT 2023`
Record UNII	UMV7E1UCUX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(METHYLTHIO)ACETIC ACID

Systematic Name

English

(METHYLMERCAPTO)ACETIC ACID

Systematic Name

English

S-METHYLTHIOGLYCOLIC ACID

Systematic Name

English

.ALPHA.-(METHYLTHIO)ACETIC ACID

Systematic Name

English

2-(METHYLTHIO)ETHANOIC ACID

Systematic Name

English

NSC-263480

Code

English

ACETIC ACID, 2-(METHYLTHIO)-

Common Name

English

METHYLSULFANYLACETIC ACID

Systematic Name

English

METHYLSULFENYL)ACETIC ACID

Common Name

English

2-(METHYLTHIO)ACETIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10179195