(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol

C12H16O3S — CID 102307951

IUPAC(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol
SMILESCc1ccc(SC2C[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C12H16O3S/c1-8-2-4-9(5-3-8)16-12-6-10(14)11(7-13)15-12/h2-5,10-14H,6-7H2,1H3/t10-,11+,12?/m0/s1
InChIKeyCEOAOYONKFZDJB-WIKAKEFZSA-N
MW240.32 g/mol
LogP1.56
Rot. Bonds3

About (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol

(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol (PubChem CID 102307951) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol
PubChem CID102307951
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol
SMILESCc1ccc(SC2C[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C12H16O3S/c1-8-2-4-9(5-3-8)16-12-6-10(14)11(7-13)15-12/h2-5,10-14H,6-7H2,1H3/t10-,11+,12?/m0/s1
InChIKeyCEOAOYONKFZDJB-WIKAKEFZSA-N
XLogP1.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258403
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(3R,4S,5S)-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolane-2,3,4-triol
CID 46875262
1,2-Propanediol, 3-(o-tolylthio)-
CID 115624
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(1R,2S,5R)-2-(4-methylphenyl)sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 155562617
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol (CID 102307951) is (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol is Cc1ccc(SC2C[C@H](O)[C@@H](CO)O2)cc1.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol?
The InChIKey is CEOAOYONKFZDJB-WIKAKEFZSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8-2-4-9(5-3-8)16-12-6-10(14)11(7-13)15-12/h2-5,10-14H,6-7H2,1H3/t10-,11+,12?/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol?
(2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol has a molecular weight of 240.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolan-3-ol is sourced from PubChem (CID 102307951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).