1-(2-hydroxypropyldisulfanyl)propan-2-ol

C6H14O2S2 — CID 6451903

IUPAC1-(2-hydroxypropyldisulfanyl)propan-2-ol
SMILESCC(O)CSSCC(C)O
InChIInChI=1S/C6H14O2S2/c1-5(7)3-9-10-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyAHRDMVQGWCOCQL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.13
Rot. Bonds5

About 1-(2-hydroxypropyldisulfanyl)propan-2-ol

1-(2-hydroxypropyldisulfanyl)propan-2-ol (PubChem CID 6451903) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-hydroxypropyldisulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropyldisulfanyl)propan-2-ol
PubChem CID6451903
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name1-(2-hydroxypropyldisulfanyl)propan-2-ol
SMILESCC(O)CSSCC(C)O
InChIInChI=1S/C6H14O2S2/c1-5(7)3-9-10-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyAHRDMVQGWCOCQL-UHFFFAOYSA-N
XLogP1.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 1-(2-hydroxypropyldisulfanyl)propan-2-ol?
The IUPAC name of 1-(2-hydroxypropyldisulfanyl)propan-2-ol (CID 6451903) is 1-(2-hydroxypropyldisulfanyl)propan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropyldisulfanyl)propan-2-ol?
The canonical SMILES for 1-(2-hydroxypropyldisulfanyl)propan-2-ol is CC(O)CSSCC(C)O.
What is the InChIKey of 1-(2-hydroxypropyldisulfanyl)propan-2-ol?
The InChIKey is AHRDMVQGWCOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(7)3-9-10-4-6(2)8/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxypropyldisulfanyl)propan-2-ol?
1-(2-hydroxypropyldisulfanyl)propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyldisulfanyl)propan-2-ol is sourced from PubChem (CID 6451903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).