2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol

C16H18O2S3 — CID 11515600

IUPAC2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
SMILESOCCSc1ccc(Sc2ccc(SCCO)cc2)cc1
InChIInChI=1S/C16H18O2S3/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8,17-18H,9-12H2
InChIKeyZSDBTSCUTHCRNL-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.01
Rot. Bonds8

About 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol

2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol (PubChem CID 11515600) has the molecular formula C16H18O2S3 and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
PubChem CID11515600
Molecular FormulaC16H18O2S3
Molecular Weight338.52 g/mol
Exact Mass338.05
IUPAC Name2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
SMILESOCCSc1ccc(Sc2ccc(SCCO)cc2)cc1
InChIInChI=1S/C16H18O2S3/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8,17-18H,9-12H2
InChIKeyZSDBTSCUTHCRNL-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol (CID 11515600) is 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol is OCCSc1ccc(Sc2ccc(SCCO)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The InChIKey is ZSDBTSCUTHCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S3/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8,17-18H,9-12H2.
What are the key properties of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol has a molecular weight of 338.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol is sourced from PubChem (CID 11515600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).