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860646-10-2 | 5-Iodothiazole-2-carboxamide
CAS No: 860646-10-2 Catalog No: AG004P96 MDL No:
Product Description
Catalog Number:
AG004P96
Chemical Name:
5-Iodothiazole-2-carboxamide
CAS Number:
860646-10-2
Molecular Formula:
C4H3IN2OS
Molecular Weight:
254.0489
IUPAC Name:
5-iodo-1,3-thiazole-2-carboxamide
InChI:
InChI=1S/C4H3IN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChI Key:
VEZDMKZNOXFSHD-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncc(s1)I
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.901g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.045g/mol
Monoisotopic Mass:
253.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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