(5S)-5-methyl-3-phenylsulfanyloxolan-2-one

C11H12O2S — CID 10262470

IUPAC(5S)-5-methyl-3-phenylsulfanyloxolan-2-one
SMILESC[C@H]1CC(Sc2ccccc2)C(=O)O1
InChIInChI=1S/C11H12O2S/c1-8-7-10(11(12)13-8)14-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1
InChIKeyBFJMPYZVXRHURN-PEHGTWAWSA-N
MW208.28 g/mol
LogP2.48
Rot. Bonds2

About (5S)-5-methyl-3-phenylsulfanyloxolan-2-one

(5S)-5-methyl-3-phenylsulfanyloxolan-2-one (PubChem CID 10262470) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (5S)-5-methyl-3-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-phenylsulfanyloxolan-2-one
PubChem CID10262470
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(5S)-5-methyl-3-phenylsulfanyloxolan-2-one
SMILESC[C@H]1CC(Sc2ccccc2)C(=O)O1
InChIInChI=1S/C11H12O2S/c1-8-7-10(11(12)13-8)14-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1
InChIKeyBFJMPYZVXRHURN-PEHGTWAWSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-phenylsulfanyloxolan-2-one?
The IUPAC name of (5S)-5-methyl-3-phenylsulfanyloxolan-2-one (CID 10262470) is (5S)-5-methyl-3-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (5S)-5-methyl-3-phenylsulfanyloxolan-2-one?
The canonical SMILES for (5S)-5-methyl-3-phenylsulfanyloxolan-2-one is C[C@H]1CC(Sc2ccccc2)C(=O)O1.
What is the InChIKey of (5S)-5-methyl-3-phenylsulfanyloxolan-2-one?
The InChIKey is BFJMPYZVXRHURN-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8-7-10(11(12)13-8)14-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (5S)-5-methyl-3-phenylsulfanyloxolan-2-one?
(5S)-5-methyl-3-phenylsulfanyloxolan-2-one has a molecular weight of 208.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 10262470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).