2-METHYL-1-BUTANETHIOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H12S
Molecular Weight	104.214
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-1-BUTANETHIOL

Structure Search

SMILES

CCC(C)CS

InChI

InChIKey=WGQKBCSACFQGQY-UHFFFAOYSA-N

InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H12S
Molecular Weight	104.214
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Synthesis and spectroscopic and electrochemical characterisation of a conducting polythiophene bearing a chiral beta-substituent: polymerisation of (+)-4,4 bi.	2001-02-02	11261666

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:18:51 GMT 2025` Edited by `admin` on `Mon Mar 31 19:18:51 GMT 2025`
Record UNII	8ZRO873BR6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 3303

Preferred Name

English

2-METHYL-1-BUTANETHIOL

Systematic Name

English

(±)-2-METHYL-1-BUTANETHIOL

Systematic Name

English

1-MERCAPTO-2-METHYLBUTANE

Systematic Name

English

2-METHYL-1-BUTANETHIOL [FHFI]

Common Name

English

1-BUTANETHIOL, 2-METHYL-

Systematic Name

English

2-METHYL-1-BUTANE THIOL

Common Name

English

2-METHYLBUTANE-1-THIOL

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-METHYL-1-BUTANETHIOL

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

Code System Code Type Description

FDA UNII

8ZRO873BR6

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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JECFA MONOGRAPH

505

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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EPA CompTox

DTXSID50862771

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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ECHA (EC/EINECS)

217-515-3

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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CAS

1878-18-8

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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PUBCHEM

15877

Created by admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025

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