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13676-50-1 | 5-Benzothiazolamine, 2-(4-aminophenyl)-
CAS No: 13676-50-1 Catalog No: AG0012BJ MDL No:
Product Description
Catalog Number:
AG0012BJ
Chemical Name:
5-Benzothiazolamine, 2-(4-aminophenyl)-
CAS Number:
13676-50-1
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
IUPAC Name:
2-(4-aminophenyl)-1,3-benzothiazol-5-amine
InChI:
InChI=1S/C13H11N3S/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,14-15H2
InChI Key:
IWQSVMPGXSAKEG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1sc2c(n1)cc(cc2)N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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