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1H-1,2,4-triazole-3-sulfonyl chloride

1H-1,2,4-triazole-3-sulfonyl chloride

CAS: 6461-29-6

Formula: C2H2ClN3O2S

SMILES: ClS(=O)(=O)C1=NNC=N1

IUPAC: 1H-1,2,4-triazole-3-sulfonyl chloride

InChI: InChI=1S/C2H2ClN3O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H,4,5,6)

Composition: C (14.34%), H (1.20%), Cl (21.16%), N (25.08%), O (19.10%), S (19.13%)

Molar Mass: 167.57

Atom Count: 11

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.9556252
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KRGDHNPMWOBKPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.06
Topological Polar Surface Area 75.71
Polarizability 12.67
Ring Count 1
Rotatable Bond Count 1

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