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117136-81-9 | 1,2-Benzisothiazole, 5-methyl-3-phenyl-
CAS No: 117136-81-9 Catalog No: AG000DSX MDL No:
Product Description
Catalog Number:
AG000DSX
Chemical Name:
1,2-Benzisothiazole, 5-methyl-3-phenyl-
CAS Number:
117136-81-9
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
IUPAC Name:
5-methyl-3-phenyl-1,2-benzothiazole
InChI:
InChI=1S/C14H11NS/c1-10-7-8-13-12(9-10)14(15-16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
QAPJHIQUFJKTFP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(ns2)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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