(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol

C20H18OS — CID 10935675

IUPAC(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18OS/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19-21H/t19-,20-/m0/s1
InChIKeyYGLFESHQPFAHJN-PMACEKPBSA-N
MW306.43 g/mol
LogP5.25
Rot. Bonds5

About (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol

(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol (PubChem CID 10935675) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol
PubChem CID10935675
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18OS/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19-21H/t19-,20-/m0/s1
InChIKeyYGLFESHQPFAHJN-PMACEKPBSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol?
The IUPAC name of (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol (CID 10935675) is (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol?
The canonical SMILES for (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol is O[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol?
The InChIKey is YGLFESHQPFAHJN-PMACEKPBSA-N. The full InChI is InChI=1S/C20H18OS/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19-21H/t19-,20-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol?
(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol has a molecular weight of 306.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol is sourced from PubChem (CID 10935675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).