2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol

C16H18O2S3 — CID 68524100

IUPAC2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
SMILESOCCSc1cccc(Sc2cccc(SCCO)c2)c1
InChIInChI=1S/C16H18O2S3/c17-7-9-19-13-3-1-5-15(11-13)21-16-6-2-4-14(12-16)20-10-8-18/h1-6,11-12,17-18H,7-10H2
InChIKeySBZCFPZXPXQLEQ-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.01
Rot. Bonds8

About 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol

2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol (PubChem CID 68524100) has the molecular formula C16H18O2S3 and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
PubChem CID68524100
Molecular FormulaC16H18O2S3
Molecular Weight338.52 g/mol
Exact Mass338.05
IUPAC Name2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol
SMILESOCCSc1cccc(Sc2cccc(SCCO)c2)c1
InChIInChI=1S/C16H18O2S3/c17-7-9-19-13-3-1-5-15(11-13)21-16-6-2-4-14(12-16)20-10-8-18/h1-6,11-12,17-18H,7-10H2
InChIKeySBZCFPZXPXQLEQ-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-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The IUPAC name of 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol (CID 68524100) is 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol.
What is the SMILES notation for 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The canonical SMILES for 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol is OCCSc1cccc(Sc2cccc(SCCO)c2)c1.
What is the InChIKey of 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
The InChIKey is SBZCFPZXPXQLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S3/c17-7-9-19-13-3-1-5-15(11-13)21-16-6-2-4-14(12-16)20-10-8-18/h1-6,11-12,17-18H,7-10H2.
What are the key properties of 2-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol?
2-[3-[3-(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-[3-[3-(2-hydroxyethylsulfanyl)phenyl]sulfanylphenyl]sulfanylethanol is sourced from PubChem (CID 68524100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).