2-HEPTANETHIOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H16S
Molecular Weight	132.267
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HEPTANETHIOL

Structure Search

SMILES

CCCCCC(C)S

InChI

InChIKey=DAZNOIJJVKASGS-UHFFFAOYSA-N

InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H16S
Molecular Weight	132.267
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
New volatile sulfur-containing constituents in a simultaneous distillation-extraction extract of red bell peppers (Capsicum annuum).	2008-01-23	18163560
Identification and synthesis of 2-heptanethiol, a new flavor compound found in bell peppers.	2004-01-28	14733513

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:30:02 GMT 2025` Edited by `admin` on `Mon Mar 31 19:30:02 GMT 2025`
Record UNII	LD4W307RIH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 4128

Preferred Name

English

2-HEPTANETHIOL

Systematic Name

English

HEPTAN-2-THIOL

Systematic Name

English

2-HEPTANETHIOL, (±)-

Systematic Name

English

(±)-2-HEPTANETHIOL

Systematic Name

English

2-HEPTANETHIOL [FHFI]

Common Name

English

HEPTANE-2-THIOL

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-HEPTANETHIOL

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

Code System Code Type Description

FDA UNII

LD4W307RIH

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY

MESH

C482407

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY

PUBCHEM

522071

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY

CAS

628-00-2

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY

JECFA MONOGRAPH

1652

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY

EPA CompTox

DTXSID90978461

Created by admin on Mon Mar 31 19:30:02 GMT 2025 , Edited by admin on Mon Mar 31 19:30:02 GMT 2025

PRIMARY