3-MERCAPTOHEXANAL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H12OS
Molecular Weight	132.224
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-MERCAPTOHEXANAL

Structure Search

SMILES

CCCC(S)CC=O

InChI

InChIKey=MMODARXIJRCRGL-UHFFFAOYSA-N

InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H12OS
Molecular Weight	132.224
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 `Sat Dec 16 00:20:58 UTC 2023` Edited by `admin` on `Sat Dec 16 00:20:58 UTC 2023`
Record UNII	7YS9XL4686
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-MERCAPTOHEXANAL

Systematic Name

English

3-MERCAPTOHEXANAL, (±)-

Systematic Name

English

FEMA NO. 4585

Code

English

(±)-3-MERCAPTOHEXANAL

Systematic Name

English

HEXANAL, 3-MERCAPTO-

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

3-MERCAPTOHEXANAL

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

Code System Code Type Description

CAS

51755-72-7

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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EPA CompTox

DTXSID60966057

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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PUBCHEM

527445

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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FDA UNII

7YS9XL4686

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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JECFA MONOGRAPH

1907

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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MESH

C477018

Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023

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