3-PENTANETHIOL

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National Institutes of Health Divider Arrow

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 3-PENTANETHIOL

Structure Search

SMILES

CCC(S)CC

InChI

InChIKey=WICKAMSPKJXSGN-UHFFFAOYSA-N

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

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

PubMed

PubMed

Title	Date	PubMed
Structure-based design, synthesis, and biological evaluation of conformationally restricted novel 2-alkylthio-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.	2001 Aug 2	11472208

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:04:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:04:22 UTC 2023`
Record UNII	43Q9692OIT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PENTANETHIOL

Systematic Name

English

PENTANE-3-THIOL

Systematic Name

English

FEMA NO. 4694

Code

English

3-PENTYL MERCAPTAN

Systematic Name

English

J100.768H

Code

English

Classification Tree Code System Code

JECFA EVALUATION

3-PENTANETHIOL

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

210-476-3

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

CAS

616-31-9

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

PUBCHEM

69220

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

EPA CompTox

DTXSID70210598

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

JECFA MONOGRAPH

2060

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

FDA UNII

43Q9692OIT

Created by admin on Sat Dec 16 08:04:22 UTC 2023 , Edited by admin on Sat Dec 16 08:04:22 UTC 2023

PRIMARY

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Interaction Type:

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Qualification:

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