S-(4-Cyanophenyl) 4-pentylbenzenecarbothioate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H19NOS
Molecular Weight	309.425
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-(4-Cyanophenyl) 4-pentylbenzenecarbothioate

Structure Search

SMILES

CCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChIKey=BBGRZAVBXDNDOR-UHFFFAOYSA-N

InChI=1S/C19H19NOS/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h6-13H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C19H19NOS
Molecular Weight	309.425
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:41:22 GMT 2025` Edited by `admin` on `Wed Apr 02 18:41:22 GMT 2025`
Record UNII	JB64U84GLB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-(4-Cyanophenyl) 4-pentylbenzenecarbothioate

Systematic Name

English

Benzenecarbothioic acid, 4-pentyl-, S-(4-cyanophenyl) ester

Preferred Name

English

S-(4-Cyanophenyl) 4-pentylthiobenzoate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID8070093

Created by admin on Wed Apr 02 18:41:22 GMT 2025 , Edited by admin on Wed Apr 02 18:41:22 GMT 2025

PRIMARY

CAS

64408-93-1

Created by admin on Wed Apr 02 18:41:22 GMT 2025 , Edited by admin on Wed Apr 02 18:41:22 GMT 2025

PRIMARY

ECHA (EC/EINECS)

264-874-7

Created by admin on Wed Apr 02 18:41:22 GMT 2025 , Edited by admin on Wed Apr 02 18:41:22 GMT 2025

PRIMARY

PUBCHEM

116614

Created by admin on Wed Apr 02 18:41:22 GMT 2025 , Edited by admin on Wed Apr 02 18:41:22 GMT 2025

PRIMARY

FDA UNII

JB64U84GLB

Created by admin on Wed Apr 02 18:41:22 GMT 2025 , Edited by admin on Wed Apr 02 18:41:22 GMT 2025

PRIMARY