PENTYL THIOCYANATOACETATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13NO2S
Molecular Weight	187.259
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTYL THIOCYANATOACETATE

Structure Search

SMILES

CCCCCOC(=O)CSC#N

InChI

InChIKey=USRQZOYSVUTGMQ-UHFFFAOYSA-N

InChI=1S/C8H13NO2S/c1-2-3-4-5-11-8(10)6-12-7-9/h2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H13NO2S
Molecular Weight	187.259
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 `Sat Dec 16 12:44:58 GMT 2023` Edited by `admin` on `Sat Dec 16 12:44:58 GMT 2023`
Record UNII	JFO57AKU2O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTYL THIOCYANATOACETATE

Systematic Name

English

ACETIC ACID, THIOCYANATO-, PENTYL ESTER

Systematic Name

English

NSC-15095

Code

English

ACETIC ACID, 2-THIOCYANATO-, PENTYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

JFO57AKU2O

Created by admin on Sat Dec 16 12:44:58 GMT 2023 , Edited by admin on Sat Dec 16 12:44:58 GMT 2023

PRIMARY

NSC

15095

Created by admin on Sat Dec 16 12:44:58 GMT 2023 , Edited by admin on Sat Dec 16 12:44:58 GMT 2023

PRIMARY

EPA CompTox

DTXSID40202763

Created by admin on Sat Dec 16 12:44:58 GMT 2023 , Edited by admin on Sat Dec 16 12:44:58 GMT 2023

PRIMARY

PUBCHEM

21580

Created by admin on Sat Dec 16 12:44:58 GMT 2023 , Edited by admin on Sat Dec 16 12:44:58 GMT 2023

PRIMARY

CAS

5439-31-6

Created by admin on Sat Dec 16 12:44:58 GMT 2023 , Edited by admin on Sat Dec 16 12:44:58 GMT 2023

PRIMARY