CC1=CC=C(C=C1)S(=O)[O-]
CAS: 17223-96-0
Name: 4-methylbenzenesulfinate
SMILES: CC1=CC=C(C=C1)S(=O)[O-]

Molecular Processing

Molecular formula
C7H7O2S-
Molecular weight
155.2
Exact mass
155.0172
XLogP
1.23
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
38.36

Supplementary Information

InChIKey: FXJVNINSOKCNJP-UHFFFAOYSA-M
Synonyme
4-Methylbenzene-1-sulfinateDTXSID20942998RefChem:1071142DTXCID5013713784-methylbenzenesulfinatep-toluenesulfonic acid monohydrideSODIUM 4-TOLUENESULFINATE HYDRATEbenzenesulfinate, 4-methyl-, sodium salt1-Methyl-4-sulfonylbenzeneTosHp-toluenesulfinateC7H7O2S-SCHEMBL13743035SCHEMBL27699314SCHEMBL27747470SCHEMBL27808042FXJVNINSOKCNJP-UHFFFAOYSA-Mp-toluene sulfonic acid monohydridep-toluenesulfonic acid mono hydrideALBB-026935AKOS01588959417223-96-0AB00983712-01
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