1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol

C20H26O2S4 — CID 23389565

IUPAC1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol
SMILESOC(CSCCSCC(O)CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C20H26O2S4/c21-17(15-25-19-7-3-1-4-8-19)13-23-11-12-24-14-18(22)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-22H,11-16H2
InChIKeyAZKQOHXWSWMQKV-UHFFFAOYSA-N
MW426.69 g/mol
LogP4.76
Rot. Bonds13

About 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol

1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol (PubChem CID 23389565) has the molecular formula C20H26O2S4 and a molecular weight of 426.69 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol
PubChem CID23389565
Molecular FormulaC20H26O2S4
Molecular Weight426.69 g/mol
Exact Mass426.08
IUPAC Name1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol
SMILESOC(CSCCSCC(O)CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C20H26O2S4/c21-17(15-25-19-7-3-1-4-8-19)13-23-11-12-24-14-18(22)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-22H,11-16H2
InChIKeyAZKQOHXWSWMQKV-UHFFFAOYSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol (CID 23389565) is 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol is OC(CSCCSCC(O)CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol?
The InChIKey is AZKQOHXWSWMQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2S4/c21-17(15-25-19-7-3-1-4-8-19)13-23-11-12-24-14-18(22)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-22H,11-16H2.
What are the key properties of 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol?
1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol has a molecular weight of 426.69 g/mol, XLogP of 4.76, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanylethylsulfanyl]-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 23389565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).