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88841-65-0 | 1,2-Benzisothiazole, 2,3-dihydro-2-(phenylmethyl)-
CAS No: 88841-65-0 Catalog No: AG004AIR MDL No:
Product Description
Catalog Number:
AG004AIR
Chemical Name:
1,2-Benzisothiazole, 2,3-dihydro-2-(phenylmethyl)-
CAS Number:
88841-65-0
Molecular Formula:
C14H13NS
Molecular Weight:
227.3247
IUPAC Name:
2-benzyl-3H-1,2-benzothiazole
InChI:
InChI=1S/C14H13NS/c1-2-6-12(7-3-1)10-15-11-13-8-4-5-9-14(13)16-15/h1-9H,10-11H2
InChI Key:
IEVLZWPFHCGRBV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1Cc2c(S1)cccc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.325g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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