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3683-98-5 | 5-Isothiazolecarboxamide
CAS No: 3683-98-5 Catalog No: AG00CZ34 MDL No:
Product Description
Catalog Number:
AG00CZ34
Chemical Name:
5-Isothiazolecarboxamide
CAS Number:
3683-98-5
IUPAC Name:
1,2-thiazole-5-carboxamide
InChI:
InChI=1S/C4H4N2OS/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
InChI Key:
RNSKZDUUNLMFJL-UHFFFAOYSA-N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.149g/mol
Monoisotopic Mass:
128.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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