1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol

C12H26O4S4 — CID 71336581

IUPAC1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol
SMILESOCCSCC(O)CSCCSCC(O)CSCCO
InChIInChI=1S/C12H26O4S4/c13-1-3-17-7-11(15)9-19-5-6-20-10-12(16)8-18-4-2-14/h11-16H,1-10H2
InChIKeyGZLLWGUQRRYAKC-UHFFFAOYSA-N
MW362.60 g/mol
LogP0.63
Rot. Bonds15

About 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol

1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol (PubChem CID 71336581) has the molecular formula C12H26O4S4 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol
PubChem CID71336581
Molecular FormulaC12H26O4S4
Molecular Weight362.60 g/mol
Exact Mass362.07
IUPAC Name1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol
SMILESOCCSCC(O)CSCCSCC(O)CSCCO
InChIInChI=1S/C12H26O4S4/c13-1-3-17-7-11(15)9-19-5-6-20-10-12(16)8-18-4-2-14/h11-16H,1-10H2
InChIKeyGZLLWGUQRRYAKC-UHFFFAOYSA-N
XLogP0.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol?
The IUPAC name of 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol (CID 71336581) is 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol is OCCSCC(O)CSCCSCC(O)CSCCO.
What is the InChIKey of 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol?
The InChIKey is GZLLWGUQRRYAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S4/c13-1-3-17-7-11(15)9-19-5-6-20-10-12(16)8-18-4-2-14/h11-16H,1-10H2.
What are the key properties of 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol?
1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol has a molecular weight of 362.60 g/mol, XLogP of 0.63, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfanyl)-3-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylethylsulfanyl]propan-2-ol is sourced from PubChem (CID 71336581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).