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2514-36-5 | 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
CAS No: 2514-36-5 Catalog No: AG006X43 MDL No:
Product Description
Catalog Number:
AG006X43
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
CAS Number:
2514-36-5
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
2-benzyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C14H11NOS/c16-14-12-8-4-5-9-13(12)17-15(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
GTTHESNNWLOVLD-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)sc2c1cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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