3-MERCAPTO-3-METHYLBUTYL ISOVALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O2S
Molecular Weight	204.33
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-MERCAPTO-3-METHYLBUTYL ISOVALERATE

Structure Search

SMILES

CC(C)CC(=O)OCCC(C)(C)S

InChI

InChIKey=OECQIVOKDHNGNJ-UHFFFAOYSA-N

InChI=1S/C10H20O2S/c1-8(2)7-9(11)12-6-5-10(3,4)13/h8,13H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2S
Molecular Weight	204.33
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:41:09 GMT 2025` Edited by `admin` on `Mon Mar 31 20:41:09 GMT 2025`
Record UNII	HJX835LB3C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 4584

Preferred Name

English

3-MERCAPTO-3-METHYLBUTYL ISOVALERATE

Systematic Name

English

BUTANOIC ACID, 3-METHYL-, 3-MERCAPTO-3-METHYLBUTYL ESTER

Common Name

English

Code System Code Type Description

CAS

612071-27-9

Created by admin on Mon Mar 31 20:41:09 GMT 2025 , Edited by admin on Mon Mar 31 20:41:09 GMT 2025

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EPA CompTox

DTXSID20210129

Created by admin on Mon Mar 31 20:41:09 GMT 2025 , Edited by admin on Mon Mar 31 20:41:09 GMT 2025

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JECFA MONOGRAPH

1905

Created by admin on Mon Mar 31 20:41:09 GMT 2025 , Edited by admin on Mon Mar 31 20:41:09 GMT 2025

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FDA UNII

HJX835LB3C

Created by admin on Mon Mar 31 20:41:09 GMT 2025 , Edited by admin on Mon Mar 31 20:41:09 GMT 2025

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PUBCHEM

53425775

Created by admin on Mon Mar 31 20:41:09 GMT 2025 , Edited by admin on Mon Mar 31 20:41:09 GMT 2025

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