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4-methanesulfonyl-2-methyl-1H-imidazole hydrochloride

4-methanesulfonyl-2-methyl-1H-imidazole hydrochloride

CAS: 2061979-55-1

Formula: C5H9ClN2O2S

SMILES: Cl.CC1=NC(=CN1)S(C)(=O)=O

IUPAC: 4-methanesulfonyl-2-methyl-1H-imidazole hydrochloride

InChI: InChI=1S/C5H8N2O2S.ClH/c1-4-6-3-5(7-4)10(2,8)9;/h3H,1-2H3,(H,6,7);1H

Composition: C (30.54%), H (4.61%), Cl (18.03%), N (14.25%), O (16.27%), S (16.30%)

Molar Mass: 196.65

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.0073264
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VLXCEKCAKMVYDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.77
Topological Polar Surface Area 62.82
Polarizability 14.98
Ring Count 1
Rotatable Bond Count 1

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