4-MERCAPTO-4-METHYL-2-PENTANOL, (±)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H14OS
Molecular Weight	134.24
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-MERCAPTO-4-METHYL-2-PENTANOL, (±)-

Structure Search

SMILES

CC(O)CC(C)(C)S

InChI

InChIKey=FDBQLLMYSACLPB-UHFFFAOYSA-N

InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C6H14OS
Molecular Weight	134.24
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:18:19 GMT 2023` Edited by `admin` on `Fri Dec 15 21:18:19 GMT 2023`
Record UNII	TG884YY7A6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-MERCAPTO-4-METHYL-2-PENTANOL, (±)-

Systematic Name

English

FEMA NO. 4158

Code

English

(±)-4-MERCAPTO-4-METHYL-2-PENTANOL

Systematic Name

English

(±)-4-MERCAPTO-4-METHYL-2-PENTANOL [FHFI]

Common Name

English

2-PENTANOL, 4-MERCAPTO-4-METHYL-

Systematic Name

English

4-MERCAPTO-4-METHYL-2-PENTANOL

Systematic Name

English

Code System Code Type Description

CAS

31539-84-1

Created by admin on Fri Dec 15 21:18:19 GMT 2023 , Edited by admin on Fri Dec 15 21:18:19 GMT 2023

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PUBCHEM

6429308

Created by admin on Fri Dec 15 21:18:19 GMT 2023 , Edited by admin on Fri Dec 15 21:18:19 GMT 2023

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EPA CompTox

DTXSID40953521

Created by admin on Fri Dec 15 21:18:19 GMT 2023 , Edited by admin on Fri Dec 15 21:18:19 GMT 2023

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FDA UNII

TG884YY7A6

Created by admin on Fri Dec 15 21:18:19 GMT 2023 , Edited by admin on Fri Dec 15 21:18:19 GMT 2023

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JECFA MONOGRAPH

1657

Created by admin on Fri Dec 15 21:18:19 GMT 2023 , Edited by admin on Fri Dec 15 21:18:19 GMT 2023

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