(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol

C11H14O3S2 — CID 10801209

IUPAC(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1
InChIInChI=1S/C11H14O3S2/c1-8-2-4-9(5-3-8)10(12)11-15(13)6-7-16(11)14/h2-5,10-12H,6-7H2,1H3/t10-,15+,16+/m0/s1
InChIKeyZOUSXXIOGLVTOT-AMKSKSKJSA-N
MW258.36 g/mol
LogP0.87
Rot. Bonds2

About (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol

(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol (PubChem CID 10801209) has the molecular formula C11H14O3S2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol
PubChem CID10801209
Molecular FormulaC11H14O3S2
Molecular Weight258.36 g/mol
Exact Mass258.04
IUPAC Name(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1
InChIInChI=1S/C11H14O3S2/c1-8-2-4-9(5-3-8)10(12)11-15(13)6-7-16(11)14/h2-5,10-12H,6-7H2,1H3/t10-,15+,16+/m0/s1
InChIKeyZOUSXXIOGLVTOT-AMKSKSKJSA-N
XLogP0.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol 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

cyclopropyl-[4-(4-methylphenyl)phenyl]methanol
CID 175668827
4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one
CID 70539201
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
[(2S)-3,3-dimethyloxiran-2-yl]-(4-methylphenyl)methanol
CID 88863243
6-[hydroxy-(4-methylphenyl)methyl]cyclohex-3-ene-1-carboxylic acid
CID 43120555
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
amino-(4-methylphenyl)methanol
CID 70304176
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969

Frequently Asked Questions

What is the IUPAC name of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol?
The IUPAC name of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol (CID 10801209) is (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol?
The canonical SMILES for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol is Cc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1.
What is the InChIKey of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol?
The InChIKey is ZOUSXXIOGLVTOT-AMKSKSKJSA-N. The full InChI is InChI=1S/C11H14O3S2/c1-8-2-4-9(5-3-8)10(12)11-15(13)6-7-16(11)14/h2-5,10-12H,6-7H2,1H3/t10-,15+,16+/m0/s1.
What are the key properties of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol?
(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol has a molecular weight of 258.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 10801209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).