2-MERCAPTOETHYL OCTANOATE

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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 2-MERCAPTOETHYL OCTANOATE

Structure Search

SMILES

CCCCCCCC(=O)OCCS

InChI

InChIKey=BHWWTWCFLZECFZ-UHFFFAOYSA-N

InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-10(11)12-8-9-13/h13H,2-9H2,1H3

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 `Fri Dec 15 19:07:13 GMT 2023` Edited by `admin` on `Fri Dec 15 19:07:13 GMT 2023`
Record UNII	5HO4I1XB49
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-MERCAPTOETHYL OCTANOATE

Systematic Name

English

2-MERCAPTOETHYL CAPRYLATE

Systematic Name

English

OCTANOIC ACID, 2-MERCAPTOETHYL ESTER

Common Name

English

Code System Code Type Description

FDA UNII

5HO4I1XB49

Created by admin on Fri Dec 15 19:07:13 GMT 2023 , Edited by admin on Fri Dec 15 19:07:13 GMT 2023

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ECHA (EC/EINECS)

260-971-3

Created by admin on Fri Dec 15 19:07:13 GMT 2023 , Edited by admin on Fri Dec 15 19:07:13 GMT 2023

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EPA CompTox

DTXSID0069204

Created by admin on Fri Dec 15 19:07:13 GMT 2023 , Edited by admin on Fri Dec 15 19:07:13 GMT 2023

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PUBCHEM

93814

Created by admin on Fri Dec 15 19:07:13 GMT 2023 , Edited by admin on Fri Dec 15 19:07:13 GMT 2023

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CAS

57813-59-9

Created by admin on Fri Dec 15 19:07:13 GMT 2023 , Edited by admin on Fri Dec 15 19:07:13 GMT 2023

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