1,3-BUTANEDITHIOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C4H10S2
Molecular Weight	122.252
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-BUTANEDITHIOL

Structure Search

SMILES

CC(S)CCS

InChI

InChIKey=XMEPRJBZFCWFKN-UHFFFAOYSA-N

InChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H10S2
Molecular Weight	122.252
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
Studies of C-S bond cleavage reactions of Re(V) dithiolates: synthesis, reactivity, and mechanism.	2005-07-27	16028958
Rhenium(V) complexes with thiolato and dithiolato ligands: synthesis, structures, and monomerization reactions.	2005-05-16	15877453

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:57:02 GMT 2025` Edited by `admin` on `Mon Mar 31 19:57:02 GMT 2025`
Record UNII	85VJA9KBCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-BUTANEDITHIOL

Systematic Name

English

FEMA NO. 3529

Preferred Name

English

1,3-BUTANEDITHIOL [FHFI]

Common Name

English

(±)-1,3-BUTANEDITHIOL

Systematic Name

English

1,3-BUTANE DITHIOL

Common Name

English

1,3-BUTANEDITHIOL, (±)-

Systematic Name

English

1,3-DIMERCAPTOBUTANE

Systematic Name

English

BUTANE-1,3-DITHIOL

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

1,3-BUTANEDITHIOL

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

Code System Code Type Description

CAS

24330-52-7

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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FDA UNII

85VJA9KBCH

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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DAILYMED

85VJA9KBCH

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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PUBCHEM

520119

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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JECFA MONOGRAPH

492

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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EPA CompTox

DTXSID50865146

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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ECHA (EC/EINECS)

246-172-2

Created by admin on Mon Mar 31 19:57:02 GMT 2025 , Edited by admin on Mon Mar 31 19:57:02 GMT 2025

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