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5-chloro-1,3,4-thiadiazole-2-carboxamide

5-chloro-1,3,4-thiadiazole-2-carboxamide

CAS: 64837-52-1

Formula: C3H2ClN3OS

SMILES: NC(=O)C1=NN=C(Cl)S1

IUPAC: 5-chloro-1,3,4-thiadiazole-2-carboxamide

InChI: InChI=1S/C3H2ClN3OS/c4-3-7-6-2(9-3)1(5)8/h(H2,5,8)

Composition: C (22.03%), H (1.23%), Cl (21.67%), N (25.69%), O (9.78%), S (19.60%)

Molar Mass: 163.58

Atom Count: 11

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.9607106
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IBGNUSRLIIGHBS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.97
Topological Polar Surface Area 68.87
Polarizability 12.45
Ring Count 1
Rotatable Bond Count 1

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