3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

CAS: 80466-78-0

Formula: C5H7ClN2O2S

SMILES: CC1=C(C(C)=NN1)S(Cl)(=O)=O

IUPAC: 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

InChI: InChI=1S/C5H7ClN2O2S/c1-3-5(11(6,9)10)4(2)8-7-3/h1-2H3,(H,7,8)

Composition: C (30.86%), H (3.63%), Cl (18.21%), N (14.39%), O (16.44%), S (16.47%)

Molar Mass: 194.63

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.9916763
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NBGSZCQLPLYKJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.68
Topological Polar Surface Area	62.82
Polarizability	16.88
Ring Count	1
Rotatable Bond Count	1

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