CS(=O)(=O)C1=CC=C(C=C1)O
CAS: 14763-60-1
Название: 4-methylsulfonylphenol
SMILES: CS(=O)(=O)C1=CC=C(C=C1)O

Molecular Processing

Molecular formula
C7H8O3S
Molecular weight
172.21
Exact mass
172.0194
XLogP
0.8
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
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
41.22

Supplementary Information

InChIKey: KECCFSZFXLAGJS-UHFFFAOYSA-N
Синонимы
4-(Methylsulfonyl)phenol4-Hydroxyphenyl methyl sulfonePhenol, p-(methylsulfonyl)-p-(Methylsulfonyl)phenolp-Hydroxyphenyl methyl sulfone4-(methanesulfonyl)phenolUNII-F7BIF7ZQJ9F7BIF7ZQJ9P-(METHANESULFONYL)PHENOLDTXSID80163763BENZENE,1-HYDROXY,4-METHYLSULFONYL (PHENOL,4-METHYLSULFONYL)RefChem:97500DTXCID6086254632-596-9InChI=1/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H14763-60-14-methylsulfonylphenolphenol, 4-(methylsulfonyl)-4-methanesulfonylphenol4-Methanesulfonyl-phenol4-methylsulphonylphenolMFCD000478064-(Methylsulfonyl)-phenolCHEMBL668614-methylsulfonyl phenol4-(methylsulphonyl)phenolphenol, 4-mesyl-p-methylsulphonylphenol4-methylsulfonyl-phenol4-methanesulphonylphenol
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