Home Other Building Blocks 1-N-(1,3-benzothiazol-2-yl)benzene-1,3-diamine dihydrochloride

1-N-(1,3-benzothiazol-2-yl)benzene-1,3-diamine dihydrochloride

CAS No.:
1181522-20-2
Catalog Number:
AG019WCP
Molecular Formula:
C13H13Cl2N3S
Molecular Weight:
314.2334
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Product Description
Catalog Number:
AG019WCP
Chemical Name:
1-N-(1,3-benzothiazol-2-yl)benzene-1,3-diamine dihydrochloride
CAS Number:
1181522-20-2
Molecular Formula:
C13H13Cl2N3S
Molecular Weight:
314.2334
MDL Number:
MFCD12912970
IUPAC Name:
3-N-(1,3-benzothiazol-2-yl)benzene-1,3-diamine;dihydrochloride
InChI:
InChI=1S/C13H11N3S.2ClH/c14-9-4-3-5-10(8-9)15-13-16-11-6-1-2-7-12(11)17-13;;/h1-8H,14H2,(H,15,16);2*1H
InChI Key:
MVCYADBAPWEWRZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Nc1nc2c(s1)cccc2.Cl.Cl
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.021g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
314.228g/mol
Monoisotopic Mass:
313.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties