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101078-51-7 | Benzothiazole, 6-methoxy-2-(4-methylphenyl)-
CAS No: 101078-51-7 Catalog No: AG0003O2 MDL No:MFCD17211091
Product Description
Catalog Number:
AG0003O2
Chemical Name:
Benzothiazole, 6-methoxy-2-(4-methylphenyl)-
CAS Number:
101078-51-7
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
MDL Number:
MFCD17211091
IUPAC Name:
6-methoxy-2-(4-methylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H13NOS/c1-10-3-5-11(6-4-10)15-16-13-8-7-12(17-2)9-14(13)18-15/h3-9H,1-2H3
InChI Key:
HYPBHVPYFUNVJM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)c1ccc(cc1)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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