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232941-00-3 | 2-Thiophenamine, 3-(2-benzothiazolyl)-4-methyl-
CAS No: 232941-00-3 Catalog No: AG002MSY MDL No:MFCD02179980
Product Description
Catalog Number:
AG002MSY
Chemical Name:
2-Thiophenamine, 3-(2-benzothiazolyl)-4-methyl-
CAS Number:
232941-00-3
Molecular Formula:
C12H10N2S2
Molecular Weight:
246.3512
MDL Number:
MFCD02179980
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
InChI:
InChI=1S/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-6H,13H2,1H3
InChI Key:
YXXFAQKMMOVVIA-UHFFFAOYSA-N
SMILES:
Cc1csc(c1c1nc2c(s1)cccc2)N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.346g/mol
Monoisotopic Mass:
246.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies of a novel series of anthrax lethal factor inhibitors. | Bioorganic & medicinal chemistry 20090501 |
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