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288-16-4

288-16-4 structural image
Product Name: Isothiazole
Formula: C3H3NS
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CHEMICAL AND PHYSICAL PROPERTIES

Chemical Classes Nitrogen Compounds -> Thiazoles

COMPUTED DESCRIPTORS

Molecular Weight 85.13 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 84.99862027 g/mol
Monoisotopic Mass 84.99862027 g/mol
Topological Polar Surface Area 41.1 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 30.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Isothiazole is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of 1,2-thiazoles.