propane-1,1,3-trithiol

C3H8S3 — CID 21251759

IUPACpropane-1,1,3-trithiol
SMILESSCCC(S)S
InChIInChI=1S/C3H8S3/c4-2-1-3(5)6/h3-6H,1-2H2
InChIKeyRXUABVZPHLTARI-UHFFFAOYSA-N
MW140.30 g/mol
LogP1.49
Rot. Bonds2

About propane-1,1,3-trithiol

propane-1,1,3-trithiol (PubChem CID 21251759) has the molecular formula C3H8S3 and a molecular weight of 140.30 g/mol. Its IUPAC name is propane-1,1,3-trithiol.

Molecular Properties

Compound Namepropane-1,1,3-trithiol
PubChem CID21251759
Molecular FormulaC3H8S3
Molecular Weight140.30 g/mol
Exact Mass139.98
IUPAC Namepropane-1,1,3-trithiol
SMILESSCCC(S)S
InChIInChI=1S/C3H8S3/c4-2-1-3(5)6/h3-6H,1-2H2
InChIKeyRXUABVZPHLTARI-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 propane-1,1,3-trithiol?
The IUPAC name of propane-1,1,3-trithiol (CID 21251759) is propane-1,1,3-trithiol.
What is the SMILES notation for propane-1,1,3-trithiol?
The canonical SMILES for propane-1,1,3-trithiol is SCCC(S)S.
What is the InChIKey of propane-1,1,3-trithiol?
The InChIKey is RXUABVZPHLTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S3/c4-2-1-3(5)6/h3-6H,1-2H2.
What are the key properties of propane-1,1,3-trithiol?
propane-1,1,3-trithiol has a molecular weight of 140.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1,3-trithiol is sourced from PubChem (CID 21251759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).