3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol

C6H14O4S2 — CID 10846312

IUPAC3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol
SMILESOCC(O)CSSCC(O)CO
InChIInChI=1S/C6H14O4S2/c7-1-5(9)3-11-12-4-6(10)2-8/h5-10H,1-4H2
InChIKeyKEPSVHAYVNZDDW-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.93
Rot. Bonds7

About 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol

3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol (PubChem CID 10846312) has the molecular formula C6H14O4S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol
PubChem CID10846312
Molecular FormulaC6H14O4S2
Molecular Weight214.31 g/mol
Exact Mass214.03
IUPAC Name3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol
SMILESOCC(O)CSSCC(O)CO
InChIInChI=1S/C6H14O4S2/c7-1-5(9)3-11-12-4-6(10)2-8/h5-10H,1-4H2
InChIKeyKEPSVHAYVNZDDW-UHFFFAOYSA-N
XLogP-0.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol (CID 10846312) is 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol is OCC(O)CSSCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol?
The InChIKey is KEPSVHAYVNZDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S2/c7-1-5(9)3-11-12-4-6(10)2-8/h5-10H,1-4H2.
What are the key properties of 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol?
3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol has a molecular weight of 214.31 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyldisulfanyl)propane-1,2-diol is sourced from PubChem (CID 10846312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).