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Home > Thiazole > 1242302-90-4
1242302-90-4 | Benzothiazole, 2-(4-Methoxyphenyl)-5-Methyl-
CAS No: 1242302-90-4 Catalog No: AG000LPJ MDL No:
Product Description
Catalog Number:
AG000LPJ
Chemical Name:
Benzothiazole, 2-(4-Methoxyphenyl)-5-Methyl-
CAS Number:
1242302-90-4
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
2-(4-methoxyphenyl)-5-methyl-1,3-benzothiazole
InChI:
InChI=1S/C15H13NOS/c1-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
InChI Key:
CMSXNGNJYGGQGW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(s1)ccc(c2)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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