(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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

Show entries

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

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Patents

Substance Class	Chemical
Record UNII	UMV7E1UCUX
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-263480

Preferred Name

English

(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

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Code System

Code

Type

Description

EPA CompTox

DTXSID10179195

PRIMARY

FDA UNII

UMV7E1UCUX

PRIMARY

NSC

263480

PRIMARY

CAS

2444-37-3

PRIMARY

PUBCHEM

75551

PRIMARY

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Related Record

Type

Details


					7115619QFZ

SODIUM (METHYLTHIO)ACETATE

SALT/SOLVATE -> PARENT

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