2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O4S
Molecular Weight	222.302
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate

Structure Search

SMILES

CCC(CO)(CO)COC(=O)CCS

InChI

InChIKey=QBVJQXFEWRDCBR-UHFFFAOYSA-N

InChI=1S/C9H18O4S/c1-2-9(5-10,6-11)7-13-8(12)3-4-14/h10-11,14H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H18O4S
Molecular Weight	222.302
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 18:26:47 GMT 2025` Edited by `admin` on `Tue Apr 01 18:26:47 GMT 2025`
Record UNII	9B83QSF8MM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Bis(hydroxymethyl)butyl 3-mercaptopropanoate

Preferred Name

English

2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate

Systematic Name

English

Propanoic acid, 3-mercapto-, 2,2-bis(hydroxymethyl)butyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

9B83QSF8MM

Created by admin on Tue Apr 01 18:26:47 GMT 2025 , Edited by admin on Tue Apr 01 18:26:47 GMT 2025

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ECHA (EC/EINECS)

267-642-3

Created by admin on Tue Apr 01 18:26:47 GMT 2025 , Edited by admin on Tue Apr 01 18:26:47 GMT 2025

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CAS

67905-23-1

Created by admin on Tue Apr 01 18:26:47 GMT 2025 , Edited by admin on Tue Apr 01 18:26:47 GMT 2025

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EPA CompTox

DTXSID6070801

Created by admin on Tue Apr 01 18:26:47 GMT 2025 , Edited by admin on Tue Apr 01 18:26:47 GMT 2025

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PUBCHEM

106030

Created by admin on Tue Apr 01 18:26:47 GMT 2025 , Edited by admin on Tue Apr 01 18:26:47 GMT 2025

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