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164660-28-0 | 1,3-Benzenediamine, 5-(2-benzothiazolyl)-
CAS No: 164660-28-0 Catalog No: AG001V09 MDL No:
Product Description
Catalog Number:
AG001V09
Chemical Name:
1,3-Benzenediamine, 5-(2-benzothiazolyl)-
CAS Number:
164660-28-0
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
IUPAC Name:
5-(1,3-benzothiazol-2-yl)benzene-1,3-diamine
InChI:
InChI=1S/C13H11N3S/c14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13/h1-7H,14-15H2
InChI Key:
GJAGIYZCTMTZAO-UHFFFAOYSA-N
SMILES:
Nc1cc(N)cc(c1)c1nc2c(s1)cccc2
Properties
Complexity:
263
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
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