(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one

C11H12O2S — CID 132551217

IUPAC(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
SMILESCS[C@H]1CC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2S/c1-14-9-7-10(12)13-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1
InChIKeyYPNIJBZGWJRJDR-GXSJLCMTSA-N
MW208.28 g/mol
LogP2.41
Rot. Bonds2

About (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one

(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one (PubChem CID 132551217) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
PubChem CID132551217
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
SMILESCS[C@H]1CC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2S/c1-14-9-7-10(12)13-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1
InChIKeyYPNIJBZGWJRJDR-GXSJLCMTSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one?
The IUPAC name of (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one (CID 132551217) is (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one is CS[C@H]1CC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one?
The InChIKey is YPNIJBZGWJRJDR-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12O2S/c1-14-9-7-10(12)13-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one?
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one has a molecular weight of 208.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one is sourced from PubChem (CID 132551217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).