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

C10H10O3S — CID 131853660

IUPAC(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one
SMILESO=C1OC(O)C[C@@H]1Sc1ccccc1
InChIInChI=1S/C10H10O3S/c11-9-6-8(10(12)13-9)14-7-4-2-1-3-5-7/h1-5,8-9,11H,6H2/t8-,9?/m0/s1
InChIKeyQOGDKWIQHXJUAH-IENPIDJESA-N
MW210.25 g/mol
LogP1.41
Rot. Bonds2

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

(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one (PubChem CID 131853660) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one
PubChem CID131853660
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one
SMILESO=C1OC(O)C[C@@H]1Sc1ccccc1
InChIInChI=1S/C10H10O3S/c11-9-6-8(10(12)13-9)14-7-4-2-1-3-5-7/h1-5,8-9,11H,6H2/t8-,9?/m0/s1
InChIKeyQOGDKWIQHXJUAH-IENPIDJESA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-phenylsulfanyloxolane-2,4-dione
CID 121217010
4-oxo-3-phenylsulfanylcyclohexane-1-carboxylic acid
CID 20537056
(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
CID 95735266
4-methyl-3-phenylsulfanyloxan-2-one
CID 14862270
trans-(1S,2R)-2-phenylsulfanylcyclopropane-1-carboxylic acid
CID 130835680
5-hydroxy-3-methyloxolan-2-one
CID 12794198
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725
2-phenylsulfanyl-2H-furan-5-one
CID 15268021
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
(1R,2R,4S,5R)-4-hydroxy-5-phenylsulfanylcyclohexane-1,2-dicarboxylate
CID 11899490
(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 97302359

Frequently Asked Questions

What is the IUPAC name of (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one?
The IUPAC name of (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one (CID 131853660) is (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one?
The canonical SMILES for (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one is O=C1OC(O)C[C@@H]1Sc1ccccc1.
What is the InChIKey of (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one?
The InChIKey is QOGDKWIQHXJUAH-IENPIDJESA-N. The full InChI is InChI=1S/C10H10O3S/c11-9-6-8(10(12)13-9)14-7-4-2-1-3-5-7/h1-5,8-9,11H,6H2/t8-,9?/m0/s1.
What are the key properties of (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one?
(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 131853660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).