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1423700-20-2 | 5-iodo-3-methylisothiazole-4-carboxamide
CAS No: 1423700-20-2 Catalog No: AG019ENG MDL No:MFCD28404210
Product Description
Catalog Number:
AG019ENG
Chemical Name:
5-iodo-3-methylisothiazole-4-carboxamide
CAS Number:
1423700-20-2
Molecular Formula:
C5H5IN2OS
Molecular Weight:
268.0755
MDL Number:
MFCD28404210
IUPAC Name:
5-iodo-3-methyl-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C5H5IN2OS/c1-2-3(5(7)9)4(6)10-8-2/h1H3,(H2,7,9)
InChI Key:
AMETTYMNVLHBJL-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(I)snc1C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.917g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.072g/mol
Monoisotopic Mass:
267.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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