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100958-73-4 | 2,7-Benzothiazolediamine
CAS No: 100958-73-4 Catalog No: AG0003AQ MDL No:MFCD16619219
Product Description
Catalog Number:
AG0003AQ
Chemical Name:
2,7-Benzothiazolediamine
CAS Number:
100958-73-4
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD16619219
IUPAC Name:
1,3-benzothiazole-2,7-diamine
InChI:
InChI=1S/C7H7N3S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
InChI Key:
BJZBFOHPOBJSPA-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)cccc2N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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