4-(3-methylsulfonylpropylsulfanyl)phenol

C10H14O3S2 — CID 63192332

IUPAC4-(3-methylsulfonylpropylsulfanyl)phenol
SMILESCS(=O)(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C10H14O3S2/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyQVHLJXQUHNVMJA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.92
Rot. Bonds5

About 4-(3-methylsulfonylpropylsulfanyl)phenol

4-(3-methylsulfonylpropylsulfanyl)phenol (PubChem CID 63192332) has the molecular formula C10H14O3S2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(3-methylsulfonylpropylsulfanyl)phenol.

Molecular Properties

Compound Name4-(3-methylsulfonylpropylsulfanyl)phenol
PubChem CID63192332
Molecular FormulaC10H14O3S2
Molecular Weight246.35 g/mol
Exact Mass246.04
IUPAC Name4-(3-methylsulfonylpropylsulfanyl)phenol
SMILESCS(=O)(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C10H14O3S2/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyQVHLJXQUHNVMJA-UHFFFAOYSA-N
XLogP1.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984
4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
CID 170958236
4-(3-ethylsulfanylpropylsulfanyl)phenol
CID 115649843
4-(2-methylsulfonylethylsulfanyl)benzoic acid
CID 60917284
1-[4-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 63658480
methyl 6-(4-hydroxyphenyl)sulfanylhexanoate
CID 135365803
4-(4-pentylsulfanylphenyl)phenol
CID 70386917
[4-(3-ethylsulfonylpropylsulfanyl)phenyl]methanol
CID 113372007
1-[4-(3-ethylsulfonylpropylsulfanyl)phenyl]ethanone
CID 65096933
4-(3,3-difluorobutylsulfanyl)phenol
CID 84683808
4-(2-methylsulfonylethylsulfanyl)benzonitrile
CID 55027974
4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylpropylsulfanyl)phenol?
The IUPAC name of 4-(3-methylsulfonylpropylsulfanyl)phenol (CID 63192332) is 4-(3-methylsulfonylpropylsulfanyl)phenol.
What is the SMILES notation for 4-(3-methylsulfonylpropylsulfanyl)phenol?
The canonical SMILES for 4-(3-methylsulfonylpropylsulfanyl)phenol is CS(=O)(=O)CCCSc1ccc(O)cc1.
What is the InChIKey of 4-(3-methylsulfonylpropylsulfanyl)phenol?
The InChIKey is QVHLJXQUHNVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S2/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 4-(3-methylsulfonylpropylsulfanyl)phenol?
4-(3-methylsulfonylpropylsulfanyl)phenol has a molecular weight of 246.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylpropylsulfanyl)phenol is sourced from PubChem (CID 63192332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).