2-phenyl-2-phenylsulfanylethanol

C14H14OS — CID 11264720

IUPAC2-phenyl-2-phenylsulfanylethanol
SMILESOCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyIPCBEZMXKIBPDH-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.51
Rot. Bonds4

About 2-phenyl-2-phenylsulfanylethanol

2-phenyl-2-phenylsulfanylethanol (PubChem CID 11264720) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanylethanol
PubChem CID11264720
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-phenyl-2-phenylsulfanylethanol
SMILESOCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyIPCBEZMXKIBPDH-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
CID 100941135
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151
2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol
CID 144623756
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
2-pentylsulfanyl-2-phenylethanol
CID 102415484
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
3-(4-nitrophenyl)sulfanyl-3-phenylpropan-1-ol
CID 170764570
(2-phenyl-2-phenylsulfanylethyl) 2-methylprop-2-enoate
CID 59781925

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanylethanol?
The IUPAC name of 2-phenyl-2-phenylsulfanylethanol (CID 11264720) is 2-phenyl-2-phenylsulfanylethanol.
What is the SMILES notation for 2-phenyl-2-phenylsulfanylethanol?
The canonical SMILES for 2-phenyl-2-phenylsulfanylethanol is OCC(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanylethanol?
The InChIKey is IPCBEZMXKIBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 2-phenyl-2-phenylsulfanylethanol?
2-phenyl-2-phenylsulfanylethanol has a molecular weight of 230.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanylethanol is sourced from PubChem (CID 11264720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).