3-(2-phenylsulfanylethylsulfanyl)phenol

C14H14OS2 — CID 104590604

IUPAC3-(2-phenylsulfanylethylsulfanyl)phenol
SMILESOc1cccc(SCCSc2ccccc2)c1
InChIInChI=1S/C14H14OS2/c15-12-5-4-8-14(11-12)17-10-9-16-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2
InChIKeyWFSLUGSJRQXNBL-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.28
Rot. Bonds5

About 3-(2-phenylsulfanylethylsulfanyl)phenol

3-(2-phenylsulfanylethylsulfanyl)phenol (PubChem CID 104590604) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-phenylsulfanylethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(2-phenylsulfanylethylsulfanyl)phenol
PubChem CID104590604
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name3-(2-phenylsulfanylethylsulfanyl)phenol
SMILESOc1cccc(SCCSc2ccccc2)c1
InChIInChI=1S/C14H14OS2/c15-12-5-4-8-14(11-12)17-10-9-16-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2
InChIKeyWFSLUGSJRQXNBL-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
3-(phenylmethoxymethylsulfanyl)phenol
CID 102940288
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
3-(3-aminobutylsulfanyl)phenol
CID 84667848
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
CID 113430079
3-[2-(2-nitrophenyl)ethylsulfanyl]phenol
CID 104590863
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylsulfanylethylsulfanyl)phenol?
The IUPAC name of 3-(2-phenylsulfanylethylsulfanyl)phenol (CID 104590604) is 3-(2-phenylsulfanylethylsulfanyl)phenol.
What is the SMILES notation for 3-(2-phenylsulfanylethylsulfanyl)phenol?
The canonical SMILES for 3-(2-phenylsulfanylethylsulfanyl)phenol is Oc1cccc(SCCSc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylsulfanylethylsulfanyl)phenol?
The InChIKey is WFSLUGSJRQXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c15-12-5-4-8-14(11-12)17-10-9-16-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2.
What are the key properties of 3-(2-phenylsulfanylethylsulfanyl)phenol?
3-(2-phenylsulfanylethylsulfanyl)phenol has a molecular weight of 262.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylsulfanylethylsulfanyl)phenol is sourced from PubChem (CID 104590604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).