2,2-DIMETHYLPROPANETHIOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H12S
Molecular Weight	104.214
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-DIMETHYLPROPANETHIOL

Structure Search

SMILES

CC(C)(C)CS

InChI

InChIKey=LSUXMVNABVPWMF-UHFFFAOYSA-N

InChI=1S/C5H12S/c1-5(2,3)4-6/h6H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C5H12S
Molecular Weight	104.214
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 19:10:31 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:31 GMT 2025`
Record UNII	BH457E77GG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-DIMETHYLPROPANETHIOL

Systematic Name

English

NEOPENTYL MERCAPTAN

Preferred Name

English

2,2-DIMETHYLPROPANE-1-THIOL

Systematic Name

English

1-PROPANETHIOL, 2,2-DIMETHYL-

Systematic Name

English

2,2-DIMETHYL-1-PROPANETHIOL

Systematic Name

English

Code System Code Type Description

CAS

1679-08-9

Created by admin on Tue Apr 01 19:10:31 GMT 2025 , Edited by admin on Tue Apr 01 19:10:31 GMT 2025

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ECHA (EC/EINECS)

216-842-9

Created by admin on Tue Apr 01 19:10:31 GMT 2025 , Edited by admin on Tue Apr 01 19:10:31 GMT 2025

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PUBCHEM

74298

Created by admin on Tue Apr 01 19:10:31 GMT 2025 , Edited by admin on Tue Apr 01 19:10:31 GMT 2025

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FDA UNII

BH457E77GG

Created by admin on Tue Apr 01 19:10:31 GMT 2025 , Edited by admin on Tue Apr 01 19:10:31 GMT 2025

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EPA CompTox

DTXSID90168426

Created by admin on Tue Apr 01 19:10:31 GMT 2025 , Edited by admin on Tue Apr 01 19:10:31 GMT 2025

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