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3-methanesulfonyl-1H-1,2,4-triazole

3-methanesulfonyl-1H-1,2,4-triazole

CAS: 3589-05-7

Formula: C3H5N3O2S

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

IUPAC: 3-methanesulfonyl-1H-1,2,4-triazole

InChI: InChI=1S/C3H5N3O2S/c1-9(7,8)3-4-2-5-6-3/h2H,1H3,(H,4,5,6)

Composition: C (24.49%), H (3.43%), N (28.56%), O (21.74%), S (21.79%)

Molar Mass: 147.15

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 147.010247587
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OKDRQEKCXPQPPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.87
Topological Polar Surface Area 75.71
Polarizability 12.44
Ring Count 1
Rotatable Bond Count 1

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