2-Mercaptoethyl heptanoate

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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 2-Mercaptoethyl heptanoate

Structure Search

SMILES

CCCCCCC(=O)OCCS

InChI

InChIKey=RAQXZZCIQKGGNI-UHFFFAOYSA-N

InChI=1S/C9H18O2S/c1-2-3-4-5-6-9(10)11-7-8-12/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 18:51:35 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:35 GMT 2025`
Record UNII	M983UPE37D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Mercaptoethyl heptanoate

Systematic Name

English

Heptanoic acid, 2-mercaptoethyl ester

Preferred Name

English

Code System Code Type Description

PUBCHEM

89898

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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EPA CompTox

DTXSID9066839

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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ECHA (EC/EINECS)

245-317-7

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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CAS

22909-87-1

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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FDA UNII

M983UPE37D

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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