2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol

C20H18OS2 — CID 101079364

IUPAC2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(CSc1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C20H18OS2/c21-19(15-22-16-9-3-1-4-10-16)18-13-7-8-14-20(18)23-17-11-5-2-6-12-17/h1-14,19,21H,15H2
InChIKeyVDLXDAUHDOHXEJ-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.66
Rot. Bonds6

About 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol

2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol (PubChem CID 101079364) has the molecular formula C20H18OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
PubChem CID101079364
Molecular FormulaC20H18OS2
Molecular Weight338.50 g/mol
Exact Mass338.08
IUPAC Name2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(CSc1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C20H18OS2/c21-19(15-22-16-9-3-1-4-10-16)18-13-7-8-14-20(18)23-17-11-5-2-6-12-17/h1-14,19,21H,15H2
InChIKeyVDLXDAUHDOHXEJ-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
CID 79742279
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol?
The IUPAC name of 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol (CID 101079364) is 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol?
The canonical SMILES for 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol is OC(CSc1ccccc1)c1ccccc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol?
The InChIKey is VDLXDAUHDOHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS2/c21-19(15-22-16-9-3-1-4-10-16)18-13-7-8-14-20(18)23-17-11-5-2-6-12-17/h1-14,19,21H,15H2.
What are the key properties of 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol?
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol has a molecular weight of 338.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 101079364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).