3-(3-hydroxypropyldisulfanyl)propan-1-ol

C6H14O2S2 — CID 11651260

IUPAC3-(3-hydroxypropyldisulfanyl)propan-1-ol
SMILESOCCCSSCCCO
InChIInChI=1S/C6H14O2S2/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2
InChIKeyRXURJOBHVPLGQU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.13
Rot. Bonds7

About 3-(3-hydroxypropyldisulfanyl)propan-1-ol

3-(3-hydroxypropyldisulfanyl)propan-1-ol (PubChem CID 11651260) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(3-hydroxypropyldisulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxypropyldisulfanyl)propan-1-ol
PubChem CID11651260
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name3-(3-hydroxypropyldisulfanyl)propan-1-ol
SMILESOCCCSSCCCO
InChIInChI=1S/C6H14O2S2/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2
InChIKeyRXURJOBHVPLGQU-UHFFFAOYSA-N
XLogP1.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyldisulfanyl)propan-1-ol?
The IUPAC name of 3-(3-hydroxypropyldisulfanyl)propan-1-ol (CID 11651260) is 3-(3-hydroxypropyldisulfanyl)propan-1-ol.
What is the SMILES notation for 3-(3-hydroxypropyldisulfanyl)propan-1-ol?
The canonical SMILES for 3-(3-hydroxypropyldisulfanyl)propan-1-ol is OCCCSSCCCO.
What is the InChIKey of 3-(3-hydroxypropyldisulfanyl)propan-1-ol?
The InChIKey is RXURJOBHVPLGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2.
What are the key properties of 3-(3-hydroxypropyldisulfanyl)propan-1-ol?
3-(3-hydroxypropyldisulfanyl)propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyldisulfanyl)propan-1-ol is sourced from PubChem (CID 11651260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).