1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol

C17H20O3S2 — CID 10088396

IUPAC1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(SC(C(C)O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3S2/c1-12-4-8-15(9-5-12)21-17(14(3)18)22(19,20)16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3
InChIKeyIBDWBFWGVZAREB-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol

1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 10088396) has the molecular formula C17H20O3S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID10088396
Molecular FormulaC17H20O3S2
Molecular Weight336.48 g/mol
Exact Mass336.09
IUPAC Name1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(SC(C(C)O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3S2/c1-12-4-8-15(9-5-12)21-17(14(3)18)22(19,20)16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3
InChIKeyIBDWBFWGVZAREB-UHFFFAOYSA-N
XLogP3.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
3-[4-(difluoromethylsulfonyl)phenyl]sulfanylbutan-2-ol
CID 113347581
3,3-dimethyl-1-(4-methylphenyl)sulfonyl-1-phenylsulfanylbutan-2-one
CID 15700556
(2S,3S)-3-(2-methyl-1,3-dioxan-2-yl)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbutan-2-ol
CID 10317301
2-hydroxy-3-(4-methylphenyl)sulfonylbutanenitrile
CID 121217021
1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol
CID 19430041
(2R,3R,4R)-2,3,4,5-tetrahydroxy-5-(4-methylphenyl)sulfonylpentanal
CID 88704819
1-methyl-4-[(1R,2S)-2-methyl-1-methylsulfanylhexyl]sulfonylbenzene
CID 101018496
1-methyl-4-[(1R,2R)-2-methyl-1-methylsulfanylhexyl]sulfonylbenzene
CID 10590369
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol (CID 10088396) is 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(SC(C(C)O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is IBDWBFWGVZAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S2/c1-12-4-8-15(9-5-12)21-17(14(3)18)22(19,20)16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 10088396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).