Name: Name:4-Isothiazolecarbonitrile, 3,5-dimethyl-
Brand: Angene
SKU: AG001B5H
Rating: 90 (10 reviews)

4-Isothiazolecarbonitrile, 3,5-dimethyl-

CAS No.:

13950-66-8

Catalog Number:

AG001B5H

Molecular Formula:

C6H6N2S

Molecular Weight:

138.1902

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Product Description

Catalog Number:

AG001B5H

Chemical Name:

4-Isothiazolecarbonitrile, 3,5-dimethyl-

CAS Number:

13950-66-8

Molecular Formula:

C6H6N2S

Molecular Weight:

138.1902

MDL Number:

MFCD28954069

IUPAC Name:

3,5-dimethyl-1,2-thiazole-4-carbonitrile

InChI:

InChI=1S/C6H6N2S/c1-4-6(3-7)5(2)9-8-4/h1-2H3

InChI Key:

QOZDOEBUNQWUKA-UHFFFAOYSA-N

SMILES:

N#Cc1c(C)nsc1C

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.188g/mol

Monoisotopic Mass:

138.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles.	Bioorganic & medicinal chemistry 19981201