(2R,3S)-2-phenyl-3-phenylsulfanyloxane

C17H18OS — CID 85090292

IUPAC(2R,3S)-2-phenyl-3-phenylsulfanyloxane
SMILESc1ccc(S[C@H]2CCCO[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18OS/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1
InChIKeyDRVLSRFDVAOKKU-DLBZAZTESA-N
MW270.40 g/mol
LogP4.70
Rot. Bonds3

About (2R,3S)-2-phenyl-3-phenylsulfanyloxane

(2R,3S)-2-phenyl-3-phenylsulfanyloxane (PubChem CID 85090292) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-3-phenylsulfanyloxane.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-3-phenylsulfanyloxane
PubChem CID85090292
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(2R,3S)-2-phenyl-3-phenylsulfanyloxane
SMILESc1ccc(S[C@H]2CCCO[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18OS/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1
InChIKeyDRVLSRFDVAOKKU-DLBZAZTESA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophenyl)tetrahydro-4-phenyl-2H-pyran-4-ol
CID 46224071
US8815951, Epoxide Hydrolase Inhibitor 4
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P 293
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2H-Thiopyranium, tetrahydro-4-(diphenylmethoxy)-1-methyl-, iodide
CID 3087759
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
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2,6-Diphenyl-tetrahydropyran
CID 568901
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyl-3-phenylsulfanyloxane?
The IUPAC name of (2R,3S)-2-phenyl-3-phenylsulfanyloxane (CID 85090292) is (2R,3S)-2-phenyl-3-phenylsulfanyloxane.
What is the SMILES notation for (2R,3S)-2-phenyl-3-phenylsulfanyloxane?
The canonical SMILES for (2R,3S)-2-phenyl-3-phenylsulfanyloxane is c1ccc(S[C@H]2CCCO[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-phenyl-3-phenylsulfanyloxane?
The InChIKey is DRVLSRFDVAOKKU-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18OS/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-phenyl-3-phenylsulfanyloxane?
(2R,3S)-2-phenyl-3-phenylsulfanyloxane has a molecular weight of 270.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-3-phenylsulfanyloxane is sourced from PubChem (CID 85090292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).