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122583-91-9 | Benzothiazole, 4,7-dimethyl-2-phenyl-
CAS No: 122583-91-9 Catalog No: AG0017HM MDL No:
Product Description
Catalog Number:
AG0017HM
Chemical Name:
Benzothiazole, 4,7-dimethyl-2-phenyl-
CAS Number:
122583-91-9
Molecular Formula:
C15H13NS
Molecular Weight:
239.3354
IUPAC Name:
4,7-dimethyl-2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C15H13NS/c1-10-8-9-11(2)14-13(10)16-15(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
RZIDVOZHXLHQQK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1sc(n2)c1ccccc1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.336g/mol
Monoisotopic Mass:
239.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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