1-(disulfanyl)propan-1-ol

C3H8OS2 — CID 23503995

IUPAC1-(disulfanyl)propan-1-ol
SMILESCCC(O)SS
InChIInChI=1S/C3H8OS2/c1-2-3(4)6-5/h3-5H,2H2,1H3
InChIKeyGMIHHJPLKZEHTA-UHFFFAOYSA-N
MW124.23 g/mol
LogP1.29
Rot. Bonds2

About 1-(disulfanyl)propan-1-ol

1-(disulfanyl)propan-1-ol (PubChem CID 23503995) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-(disulfanyl)propan-1-ol.

Molecular Properties

Compound Name1-(disulfanyl)propan-1-ol
PubChem CID23503995
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Name1-(disulfanyl)propan-1-ol
SMILESCCC(O)SS
InChIInChI=1S/C3H8OS2/c1-2-3(4)6-5/h3-5H,2H2,1H3
InChIKeyGMIHHJPLKZEHTA-UHFFFAOYSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)propan-1-ol?
The IUPAC name of 1-(disulfanyl)propan-1-ol (CID 23503995) is 1-(disulfanyl)propan-1-ol.
What is the SMILES notation for 1-(disulfanyl)propan-1-ol?
The canonical SMILES for 1-(disulfanyl)propan-1-ol is CCC(O)SS.
What is the InChIKey of 1-(disulfanyl)propan-1-ol?
The InChIKey is GMIHHJPLKZEHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c1-2-3(4)6-5/h3-5H,2H2,1H3.
What are the key properties of 1-(disulfanyl)propan-1-ol?
1-(disulfanyl)propan-1-ol has a molecular weight of 124.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)propan-1-ol is sourced from PubChem (CID 23503995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).