U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H8N2S2
Molecular Weight 232.325
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IS-2

SMILES

CSC1=NSC(=C1C#N)C2=CC=CC=C2

InChI

InChIKey=ZPMLIDDJACUALQ-UHFFFAOYSA-N
InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(15-13-11)8-5-3-2-4-6-8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C11H8N2S2
Molecular Weight 232.325
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles.
1998 Dec
Synthesis of new 3,4,5-trisubstituted isothiazoles as effective inhibitory agents of enteroviruses.
1999 Feb
Anti-rhinovirus activity of 3-methylthio-5-aryl-4-isothiazolecarbonitrile derivatives.
2000 Mar
Isothiazole derivatives as antiviral agents.
2007
Antipoliovirus activity and mechanism of action of 3-methylthio-5-phenyl-4-isothiazolecarbonitrile.
2010 Dec
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:15 GMT 2023
Edited
by admin
on Sat Dec 16 08:15:15 GMT 2023
Record UNII
815QI834QR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IS-2
Common Name English
4-ISOTHIAZOLECARBONITRILE, 3-(METHYLTHIO)-5-PHENYL-
Systematic Name English
Code System Code Type Description
FDA UNII
815QI834QR
Created by admin on Sat Dec 16 08:15:16 GMT 2023 , Edited by admin on Sat Dec 16 08:15:16 GMT 2023
PRIMARY
CAS
221006-20-8
Created by admin on Sat Dec 16 08:15:16 GMT 2023 , Edited by admin on Sat Dec 16 08:15:16 GMT 2023
PRIMARY
PUBCHEM
512965
Created by admin on Sat Dec 16 08:15:16 GMT 2023 , Edited by admin on Sat Dec 16 08:15:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY