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16622-36-9 | Benzothiazole, 2-(diphenylmethyl)-
CAS No: 16622-36-9 Catalog No: AG001WKT MDL No:
Product Description
Catalog Number:
AG001WKT
Chemical Name:
Benzothiazole, 2-(diphenylmethyl)-
CAS Number:
16622-36-9
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
2-benzhydryl-1,3-benzothiazole
InChI:
InChI=1S/C20H15NS/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1-14,19H
InChI Key:
CIDPLXGKJSSQAW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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