3-(disulfanyl)propane-1-thiol

C3H8S3 — CID 101216787

IUPAC3-(disulfanyl)propane-1-thiol
SMILESSCCCSS
InChIInChI=1S/C3H8S3/c4-2-1-3-6-5/h4-5H,1-3H2
InChIKeyCKDAQUIRYCWLGW-UHFFFAOYSA-N
MW140.30 g/mol
LogP1.88
Rot. Bonds3

About 3-(disulfanyl)propane-1-thiol

3-(disulfanyl)propane-1-thiol (PubChem CID 101216787) has the molecular formula C3H8S3 and a molecular weight of 140.30 g/mol. Its IUPAC name is 3-(disulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(disulfanyl)propane-1-thiol
PubChem CID101216787
Molecular FormulaC3H8S3
Molecular Weight140.30 g/mol
Exact Mass139.98
IUPAC Name3-(disulfanyl)propane-1-thiol
SMILESSCCCSS
InChIInChI=1S/C3H8S3/c4-2-1-3-6-5/h4-5H,1-3H2
InChIKeyCKDAQUIRYCWLGW-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(disulfanyl)propane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)propane-1-thiol?
The IUPAC name of 3-(disulfanyl)propane-1-thiol (CID 101216787) is 3-(disulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(disulfanyl)propane-1-thiol?
The canonical SMILES for 3-(disulfanyl)propane-1-thiol is SCCCSS.
What is the InChIKey of 3-(disulfanyl)propane-1-thiol?
The InChIKey is CKDAQUIRYCWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S3/c4-2-1-3-6-5/h4-5H,1-3H2.
What are the key properties of 3-(disulfanyl)propane-1-thiol?
3-(disulfanyl)propane-1-thiol has a molecular weight of 140.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)propane-1-thiol is sourced from PubChem (CID 101216787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).