HEPTYL MERCAPTOACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O2S
Molecular Weight	190.303
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEPTYL MERCAPTOACETATE

Structure Search

SMILES

CCCCCCCOC(=O)CS

InChI

InChIKey=GBJFQMKBFBYNPC-UHFFFAOYSA-N

InChI=1S/C9H18O2S/c1-2-3-4-5-6-7-11-9(10)8-12/h12H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H18O2S
Molecular Weight	190.303
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 `Tue Apr 01 19:29:54 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:54 GMT 2025`
Record UNII	KW7SB3CF8S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ACETIC ACID, MERCAPTO-, HEPTYL ESTER

Preferred Name

English

HEPTYL MERCAPTOACETATE

Systematic Name

English

ACETIC ACID, 2-MERCAPTO-, HEPTYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID2068185

Created by admin on Tue Apr 01 19:29:54 GMT 2025 , Edited by admin on Tue Apr 01 19:29:54 GMT 2025

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ECHA (EC/EINECS)

254-530-4

Created by admin on Tue Apr 01 19:29:54 GMT 2025 , Edited by admin on Tue Apr 01 19:29:54 GMT 2025

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CAS

39583-10-3

Created by admin on Tue Apr 01 19:29:54 GMT 2025 , Edited by admin on Tue Apr 01 19:29:54 GMT 2025

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FDA UNII

KW7SB3CF8S

Created by admin on Tue Apr 01 19:29:54 GMT 2025 , Edited by admin on Tue Apr 01 19:29:54 GMT 2025

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PUBCHEM

170225

Created by admin on Tue Apr 01 19:29:54 GMT 2025 , Edited by admin on Tue Apr 01 19:29:54 GMT 2025

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