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2942-15-6 | Benzothiazole, 6-methyl-
CAS No: 2942-15-6 Catalog No: AG002YBV MDL No:MFCD01325556
Product Description
Catalog Number:
AG002YBV
Chemical Name:
Benzothiazole, 6-methyl-
CAS Number:
2942-15-6
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD01325556
IUPAC Name:
6-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3
InChI Key:
IVKILQAPNDCUNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)scn2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Syntheses and DNA-binding studies of a series of unsymmetrical cyanine dyes: structural influence on the degree of minor groove binding to natural DNA. | Bioorganic & medicinal chemistry 20040501 |
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