(1S)-1-(4-phenylsulfanylphenyl)ethanol

C14H14OS — CID 78951886

IUPAC(1S)-1-(4-phenylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11,15H,1H3/t11-/m0/s1
InChIKeyRCHMPJXXFCFXTH-NSHDSACASA-N
MW230.33 g/mol
LogP3.89
Rot. Bonds3

About (1S)-1-(4-phenylsulfanylphenyl)ethanol

(1S)-1-(4-phenylsulfanylphenyl)ethanol (PubChem CID 78951886) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (1S)-1-(4-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-phenylsulfanylphenyl)ethanol
PubChem CID78951886
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(1S)-1-(4-phenylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11,15H,1H3/t11-/m0/s1
InChIKeyRCHMPJXXFCFXTH-NSHDSACASA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-phenylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-phenylsulfanylphenyl)ethanol (CID 78951886) is (1S)-1-(4-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-phenylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-phenylsulfanylphenyl)ethanol is C[C@H](O)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-phenylsulfanylphenyl)ethanol?
The InChIKey is RCHMPJXXFCFXTH-NSHDSACASA-N. The full InChI is InChI=1S/C14H14OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11,15H,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-phenylsulfanylphenyl)ethanol?
(1S)-1-(4-phenylsulfanylphenyl)ethanol has a molecular weight of 230.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).