CC1=CC(=CC=C1)S(=O)(=O)Cl
CAS: 1899-93-0
Name: 3-methylbenzenesulfonyl chloride
SMILES: CC1=CC(=CC=C1)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C7H7ClO2S
Molecular weight
190.65
Exact mass
189.9855
XLogP
1.92
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
44.22

Supplementary Information

InChIKey: KFPMLWUKHQMEBU-UHFFFAOYSA-N
Synonyme
3-methylbenzenesulphonyl chlorideRefChem:504141628-747-31899-93-03-methylbenzenesulfonyl Chloridem-Toluenesulfonyl chloride3-Toluenesulfonyl chloride3-methylbenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 3-methyl-MFCD000517473-methyl-benzenesulfonyl chloride3-toluenesulphonyl chloride3-methylphenylsulfonyl chloride3-methylbenzenesulfonic acid chloridem-tolylsulfonyl chloride3-tolylsulfonyl chlorideTenofovir Impurity 2823-tolyl sulfonyl chloridetoluene-3-sulfonyl chloridem-methylphenylsulfonylchlorideSCHEMBL213635m-toluenesulfonic acid chlorideM-TOLUENESULFONYLCHLORIDESCHEMBL8773769SCHEMBL31650294DTXSID90370380m-Toluenesulfonyl chloride, 97%3-methyl-benzenesulphonyl chloridem-methylbenzene-1-sulfonyl chlorideSBB042570
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