(4R)-4-phenylsulfanyloxolan-2-one

C10H10O2S — CID 98618360

IUPAC(4R)-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)CO1
InChIInChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyRKNVHWSSVFDCIH-SECBINFHSA-N
MW194.26 g/mol
LogP2.09
Rot. Bonds2

About (4R)-4-phenylsulfanyloxolan-2-one

(4R)-4-phenylsulfanyloxolan-2-one (PubChem CID 98618360) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is (4R)-4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-phenylsulfanyloxolan-2-one
PubChem CID98618360
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name(4R)-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)CO1
InChIInChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyRKNVHWSSVFDCIH-SECBINFHSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(phenylsulfinyl)acetate
CID 84191
3-(Phenylthio)propanoic acid
CID 222492
17277-58-6
CID 123375
4-(Phenylthio)butanoic acid
CID 97324
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
Ethyl Fluoro(phenylthio)acetate
CID 11148583
2-Propenoic acid, 2-(phenylthio)ethyl ester
CID 22676929
Ethyl 3-phenylthiopropionate
CID 320403
Methyl 3-(phenylthio)propionate
CID 350367
Methyl-4-(phenylthio)butanoate
CID 12718409
Methyl 3-(phenylthio)isobutyrate
CID 94772
Ethyl 4-(4-fluorophenyl)sulfanyl-3-oxo-butanoate
CID 49776860

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenylsulfanyloxolan-2-one?
The IUPAC name of (4R)-4-phenylsulfanyloxolan-2-one (CID 98618360) is (4R)-4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (4R)-4-phenylsulfanyloxolan-2-one?
The canonical SMILES for (4R)-4-phenylsulfanyloxolan-2-one is O=C1C[C@@H](Sc2ccccc2)CO1.
What is the InChIKey of (4R)-4-phenylsulfanyloxolan-2-one?
The InChIKey is RKNVHWSSVFDCIH-SECBINFHSA-N. The full InChI is InChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1.
What are the key properties of (4R)-4-phenylsulfanyloxolan-2-one?
(4R)-4-phenylsulfanyloxolan-2-one has a molecular weight of 194.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 98618360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).