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86405-97-2 | 6-Benzothiazolecarbonitrile, 2,3-dihydro-3-methyl-2-oxo-
CAS No: 86405-97-2 Catalog No: AG004NMF MDL No:
Product Description
Catalog Number:
AG004NMF
Chemical Name:
6-Benzothiazolecarbonitrile, 2,3-dihydro-3-methyl-2-oxo-
CAS Number:
86405-97-2
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
IUPAC Name:
3-methyl-2-oxo-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C9H6N2OS/c1-11-7-3-2-6(5-10)4-8(7)13-9(11)12/h2-4H,1H3
InChI Key:
DUSVNTZASZCSES-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)sc(=O)n2C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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