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3-amino-1??,2-benzothiazole-1,1-dione

3-amino-1??,2-benzothiazole-1,1-dione

CAS: 7668-28-2

Formula: C7H6N2O2S

SMILES: NC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: 3-amino-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C7H6N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H,(H2,8,9)

Composition: C (46.15%), H (3.32%), N (15.38%), O (17.56%), S (17.60%)

Molar Mass: 182.2

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.014998615
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QNOQSOJREDRYBC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.37
Topological Polar Surface Area 72.52
Polarizability 17.47
Ring Count 2
Rotatable Bond Count 0

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