(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol

C12H16OS — CID 124547206

IUPAC(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
SMILESCc1ccc([C@@]2(O)CCS[C@@H]2C)cc1
InChIInChI=1S/C12H16OS/c1-9-3-5-11(6-4-9)12(13)7-8-14-10(12)2/h3-6,10,13H,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyKLTAIJMAFRKGLS-ZYHUDNBSSA-N
MW208.33 g/mol
LogP2.71
Rot. Bonds1

About (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol

(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol (PubChem CID 124547206) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
PubChem CID124547206
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
SMILESCc1ccc([C@@]2(O)CCS[C@@H]2C)cc1
InChIInChI=1S/C12H16OS/c1-9-3-5-11(6-4-9)12(13)7-8-14-10(12)2/h3-6,10,13H,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyKLTAIJMAFRKGLS-ZYHUDNBSSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol
CID 125426605
2-methyl-3-pyridin-3-ylthiolan-3-ol
CID 112708905
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
2-methyl-3-(4-propylphenyl)thian-3-ol
CID 79952547
3-(4-fluoro-3-methylphenyl)-2-methylthian-3-ol
CID 79952551
(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
CID 124681288
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)thiolan-3-ol
CID 130834253
(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
CID 11879284
3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
CID 130484192
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
CID 175622247

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol?
The IUPAC name of (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol (CID 124547206) is (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol.
What is the SMILES notation for (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol?
The canonical SMILES for (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol is Cc1ccc([C@@]2(O)CCS[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol?
The InChIKey is KLTAIJMAFRKGLS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-3-5-11(6-4-9)12(13)7-8-14-10(12)2/h3-6,10,13H,7-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol?
(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol has a molecular weight of 208.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol is sourced from PubChem (CID 124547206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).