1-HEPTANETHIOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H16S
Molecular Weight	132.267
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-HEPTANETHIOL

Structure Search

SMILES

CCCCCCCS

InChI

InChIKey=VPIAKHNXCOTPAY-UHFFFAOYSA-N

InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H16S
Molecular Weight	132.267
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
Comparative electrochemical and impedance studies of self-assembled rigid-rod molecular wires and alkanethiols on gold substrates.	2010-11-28	20890500
Thiol activation of a model O2-aryl diazeniumdiolate prodrug in phospholipid vesicle media.	2008-12	18675930

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:59:15 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:15 GMT 2025`
Record UNII	380ZE61GR2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-HEPTANETHIOL

Systematic Name

English

FEMA NO. 4259

Preferred Name

English

HEPTYLTHIOL

Common Name

English

HEPTYL THIOL

Systematic Name

English

NSC-71119

Code

English

N-HEPTYLMERCAPTAN

Common Name

English

HEPTANE-1-THIOL [FHFI]

Code

English

HEPTYL MERCAPTAN

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

HEPTANE-1-THIOL

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

Code System Code Type Description

NSC

71119

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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EPA CompTox

DTXSID3061841

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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PUBCHEM

15422

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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JECFA MONOGRAPH

1651

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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FDA UNII

380ZE61GR2

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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ECHA (EC/EINECS)

216-678-8

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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CAS

1639-09-4

Created by admin on Mon Mar 31 19:59:15 GMT 2025 , Edited by admin on Mon Mar 31 19:59:15 GMT 2025

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