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88888-92-0 | 1,2,3-Benzothiadiazol-5-amine, N,N-dimethyl-
CAS No: 88888-92-0 Catalog No: AG0049X8 MDL No:
Product Description
Catalog Number:
AG0049X8
Chemical Name:
1,2,3-Benzothiadiazol-5-amine, N,N-dimethyl-
CAS Number:
88888-92-0
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
IUPAC Name:
N,N-dimethyl-1,2,3-benzothiadiazol-5-amine
InChI:
InChI=1S/C8H9N3S/c1-11(2)6-3-4-8-7(5-6)9-10-12-8/h3-5H,1-2H3
InChI Key:
VVFATVUNWAIINT-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)nns2)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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