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20067-15-6 | 5-Iodo-3-Methyl-isothiazole
CAS No: 20067-15-6 Catalog No: AG00BG3H MDL No:MFCD17012839
Product Description
Catalog Number:
AG00BG3H
Chemical Name:
5-Iodo-3-Methyl-isothiazole
CAS Number:
20067-15-6
Molecular Formula:
C4H4INS
Molecular Weight:
225.0507
MDL Number:
MFCD17012839
IUPAC Name:
5-iodo-3-methyl-1,2-thiazole
InChI:
InChI=1S/C4H4INS/c1-3-2-4(5)7-6-3/h2H,1H3
InChI Key:
BKAZKAKFTYEOIA-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)I
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.911g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.047g/mol
Monoisotopic Mass:
224.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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