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157059-80-8 | Benzothiazole, 2-methyl-5-(4-methylphenyl)-
CAS No: 157059-80-8 Catalog No: AG001P6U MDL No:
Product Description
Catalog Number:
AG001P6U
Chemical Name:
Benzothiazole, 2-methyl-5-(4-methylphenyl)-
CAS Number:
157059-80-8
Molecular Formula:
C15H13NS
Molecular Weight:
239.3354
IUPAC Name:
2-methyl-5-(4-methylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H13NS/c1-10-3-5-12(6-4-10)13-7-8-15-14(9-13)16-11(2)17-15/h3-9H,1-2H3
InChI Key:
ABMIKBBLCOPCOC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc2c(c1)nc(s2)C
Properties
Complexity:
260
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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