methane;methylsulfonylbenzene;4-methylsulfonylphenol

C15H20O5S2 — CID 161395670

IUPACmethane;methylsulfonylbenzene;4-methylsulfonylphenol
SMILESC.CS(=O)(=O)c1ccc(O)cc1.CS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O3S.C7H8O2S.CH4/c1-11(9,10)7-4-2-6(8)3-5-7;1-10(8,9)7-5-3-2-4-6-7;/h2-5,8H,1H3;2-6H,1H3;1H4
InChIKeyVTOHPXZTCWEEDM-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.52
Rot. Bonds2

About methane;methylsulfonylbenzene;4-methylsulfonylphenol

methane;methylsulfonylbenzene;4-methylsulfonylphenol (PubChem CID 161395670) has the molecular formula C15H20O5S2 and a molecular weight of 344.45 g/mol. Its IUPAC name is methane;methylsulfonylbenzene;4-methylsulfonylphenol.

Molecular Properties

Compound Namemethane;methylsulfonylbenzene;4-methylsulfonylphenol
PubChem CID161395670
Molecular FormulaC15H20O5S2
Molecular Weight344.45 g/mol
Exact Mass344.08
IUPAC Namemethane;methylsulfonylbenzene;4-methylsulfonylphenol
SMILESC.CS(=O)(=O)c1ccc(O)cc1.CS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O3S.C7H8O2S.CH4/c1-11(9,10)7-4-2-6(8)3-5-7;1-10(8,9)7-5-3-2-4-6-7;/h2-5,8H,1H3;2-6H,1H3;1H4
InChIKeyVTOHPXZTCWEEDM-UHFFFAOYSA-N
XLogP2.52
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bisphenol S
CID 6626
4,4'-Thiodiphenol
CID 17570
Zinc Phenolsulfonate
CID 31391
4-(Methylthio)phenol
CID 14086
2,4'-Dihydroxydiphenyl sulfone
CID 79381
4-(Methylsulfonyl)phenol
CID 123350
Sodium P-phenolsulfonate dihydrate
CID 23666329
4-Sulfophenol
CID 3010347
2-(Methylsulfinyl)phenol
CID 588090
4-[(4-Hydroxyphenyl)disulfanyl]phenol
CID 280665
4-Trifluoromethanesulfonylphenol
CID 14857426
2-(Phenylsulfonyl)-1,4-benzenediol
CID 640910

Frequently Asked Questions

What is the IUPAC name of methane;methylsulfonylbenzene;4-methylsulfonylphenol?
The IUPAC name of methane;methylsulfonylbenzene;4-methylsulfonylphenol (CID 161395670) is methane;methylsulfonylbenzene;4-methylsulfonylphenol.
What is the SMILES notation for methane;methylsulfonylbenzene;4-methylsulfonylphenol?
The canonical SMILES for methane;methylsulfonylbenzene;4-methylsulfonylphenol is C.CS(=O)(=O)c1ccc(O)cc1.CS(=O)(=O)c1ccccc1.
What is the InChIKey of methane;methylsulfonylbenzene;4-methylsulfonylphenol?
The InChIKey is VTOHPXZTCWEEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.C7H8O2S.CH4/c1-11(9,10)7-4-2-6(8)3-5-7;1-10(8,9)7-5-3-2-4-6-7;/h2-5,8H,1H3;2-6H,1H3;1H4.
What are the key properties of methane;methylsulfonylbenzene;4-methylsulfonylphenol?
methane;methylsulfonylbenzene;4-methylsulfonylphenol has a molecular weight of 344.45 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylsulfonylbenzene;4-methylsulfonylphenol is sourced from PubChem (CID 161395670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).