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756531-49-4 | 4-Isothiazolecarbonitrile,5-ethyl-3-methyl-(9CI)
CAS No: 756531-49-4 Catalog No: AG00GFEZ MDL No:
Product Description
Catalog Number:
AG00GFEZ
Chemical Name:
4-Isothiazolecarbonitrile,5-ethyl-3-methyl-(9CI)
CAS Number:
756531-49-4
IUPAC Name:
5-ethyl-3-methyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2S/c1-3-7-6(4-8)5(2)9-10-7/h3H2,1-2H3
InChI Key:
WJYWJJIMUJAOOP-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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