(4S)-4-phenylsulfanyloxan-2-one

C11H12O2S — CID 125492281

IUPAC(4S)-4-phenylsulfanyloxan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)CCO1
InChIInChI=1S/C11H12O2S/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyNWWSRSXWZLIJQM-JTQLQIEISA-N
MW208.28 g/mol
LogP2.48
Rot. Bonds2

About (4S)-4-phenylsulfanyloxan-2-one

(4S)-4-phenylsulfanyloxan-2-one (PubChem CID 125492281) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (4S)-4-phenylsulfanyloxan-2-one.

Molecular Properties

Compound Name(4S)-4-phenylsulfanyloxan-2-one
PubChem CID125492281
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(4S)-4-phenylsulfanyloxan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)CCO1
InChIInChI=1S/C11H12O2S/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyNWWSRSXWZLIJQM-JTQLQIEISA-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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Related Compounds

17277-58-6
CID 123375
4-(Phenylthio)butanoic acid
CID 97324
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
Ethyl Fluoro(phenylthio)acetate
CID 11148583
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
Ethyl 3-phenylthiopropionate
CID 320403
Methyl 3-(phenylthio)propionate
CID 350367
Methyl-4-(phenylthio)butanoate
CID 12718409
Methyl 3-(phenylthio)isobutyrate
CID 94772
Butyric acid, 3-(phenylthio)-, methyl ester
CID 10750953
(Phenylthio)acetic acid, cyclohexyl ester
CID 533051
(Phenylthio)acetic acid, propyl ester
CID 177292

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenylsulfanyloxan-2-one?
The IUPAC name of (4S)-4-phenylsulfanyloxan-2-one (CID 125492281) is (4S)-4-phenylsulfanyloxan-2-one.
What is the SMILES notation for (4S)-4-phenylsulfanyloxan-2-one?
The canonical SMILES for (4S)-4-phenylsulfanyloxan-2-one is O=C1C[C@@H](Sc2ccccc2)CCO1.
What is the InChIKey of (4S)-4-phenylsulfanyloxan-2-one?
The InChIKey is NWWSRSXWZLIJQM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O2S/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (4S)-4-phenylsulfanyloxan-2-one?
(4S)-4-phenylsulfanyloxan-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 (4S)-4-phenylsulfanyloxan-2-one is sourced from PubChem (CID 125492281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).