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19951-39-4 | 2,1,3-Benzothiadiazole-4,7-diamine
CAS No: 19951-39-4 Catalog No: AG002C5T MDL No:
Product Description
Catalog Number:
AG002C5T
Chemical Name:
2,1,3-Benzothiadiazole-4,7-diamine
CAS Number:
19951-39-4
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
IUPAC Name:
2,1,3-benzothiadiazole-4,7-diamine
InChI:
InChI=1S/C6H6N4S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,7-8H2
InChI Key:
YMLZIRYFWNLCQS-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1nsn2)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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