1-(disulfanyl)propane

C3H8S2 — CID 6428842

IUPAC1-(disulfanyl)propane
SMILESCCCSS
InChIInChI=1S/C3H8S2/c1-2-3-5-4/h4H,2-3H2,1H3
InChIKeyHNXSKKGXEJGBFT-UHFFFAOYSA-N
MW108.23 g/mol
LogP1.97
Rot. Bonds2

About 1-(disulfanyl)propane

1-(disulfanyl)propane (PubChem CID 6428842) has the molecular formula C3H8S2 and a molecular weight of 108.23 g/mol. Its IUPAC name is 1-(disulfanyl)propane.

Molecular Properties

Compound Name1-(disulfanyl)propane
PubChem CID6428842
Molecular FormulaC3H8S2
Molecular Weight108.23 g/mol
Exact Mass108.01
IUPAC Name1-(disulfanyl)propane
SMILESCCCSS
InChIInChI=1S/C3H8S2/c1-2-3-5-4/h4H,2-3H2,1H3
InChIKeyHNXSKKGXEJGBFT-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(disulfanyl)propane with MolForge

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

Launch Full Analysis

Related Compounds

Dipropyl disulfide
CID 12377
Propyl mercaptan
CID 7848
Diethyl disulfide
CID 8077
Dipropyl trisulfide
CID 22383
2-Propanethiol
CID 6364
Methyl propyl disulfide
CID 16592
1,3-Propanedithiol
CID 8013
2,3-Butanedithiol
CID 548353
Diethyl trisulfide
CID 77151
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
2,3-Dimercaptopropane
CID 61217

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)propane?
The IUPAC name of 1-(disulfanyl)propane (CID 6428842) is 1-(disulfanyl)propane.
What is the SMILES notation for 1-(disulfanyl)propane?
The canonical SMILES for 1-(disulfanyl)propane is CCCSS.
What is the InChIKey of 1-(disulfanyl)propane?
The InChIKey is HNXSKKGXEJGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S2/c1-2-3-5-4/h4H,2-3H2,1H3.
What are the key properties of 1-(disulfanyl)propane?
1-(disulfanyl)propane has a molecular weight of 108.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)propane is sourced from PubChem (CID 6428842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).