3-isothiazolecarboxamide

Compound Structure:

Synonyms:

3-Isothiazolecarboxamide;isothiazole-3-carboxamide;24342-43-6;1,2-thiazole-3-carboxamide;isothiazole-3-carboxylic acid amide;isothiazole carboxamide;SCHEMBL626433

Compound ID:

NMPC-359

PubChem ID:

581839

Molecular Formula:

C4H4N2OS

Canonical SMILES:

C1=CSN=C1C(=O)N

InChIKey:

LPDNEYZLRXGBKO-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	128.15 g/mol
XLogP3-AA	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	128.00443393 g/mol
Monoisotopic Mass	128.00443393 g/mol
Topological Polar Surface Area	84.2Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
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

Source: PubChem

Source Species:

Millettia aboensis

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