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64434-96-4 | Benzothiazole, 2-(2-methyl-4-pyridinyl)-
CAS No: 64434-96-4 Catalog No: AG00H76M MDL No:
Product Description
Catalog Number:
AG00H76M
Chemical Name:
Benzothiazole, 2-(2-methyl-4-pyridinyl)-
CAS Number:
64434-96-4
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
IUPAC Name:
2-(2-methylpyridin-4-yl)-1,3-benzothiazole
InChI:
InChI=1S/C13H10N2S/c1-9-8-10(6-7-14-9)13-15-11-4-2-3-5-12(11)16-13/h2-8H,1H3
InChI Key:
WRKMRNFZDIAXLI-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)c1nc2c(s1)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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