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144176-32-9 | Benzothiazole, 2-(3,4,5-trimethylphenyl)-
CAS No: 144176-32-9 Catalog No: AG001J2W MDL No:
Product Description
Catalog Number:
AG001J2W
Chemical Name:
Benzothiazole, 2-(3,4,5-trimethylphenyl)-
CAS Number:
144176-32-9
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
2-(3,4,5-trimethylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C16H15NS/c1-10-8-13(9-11(2)12(10)3)16-17-14-6-4-5-7-15(14)18-16/h4-9H,1-3H3
InChI Key:
NHWANIYVLGGULR-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc(cc1C)c1nc2c(s1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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