3-PENTANETHIOL

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

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

Approval Year

PubMed

PubMed

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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

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Name

Type

Language

FEMA NO. 4694

Preferred Name

English

3-PENTANETHIOL

Systematic Name

English

PENTANE-3-THIOL

Systematic Name

English

3-PENTYL MERCAPTAN

Systematic Name

English

J100.768H

Code

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-PENTANETHIOL

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Code System

Code

Type

Description

ECHA (EC/EINECS)

210-476-3

PRIMARY

CAS

616-31-9

PRIMARY

PUBCHEM

69220

PRIMARY

EPA CompTox

DTXSID70210598

PRIMARY

JECFA MONOGRAPH

2060

PRIMARY

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SUBSTANCE RECORD


					43Q9692OIT

3-PENTANETHIOL