3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol

C6H14S6 — CID 20768499

IUPAC3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol
SMILESSCC(S)CSSCC(S)CS
InChIInChI=1S/C6H14S6/c7-1-5(9)3-11-12-4-6(10)2-8/h5-10H,1-4H2
InChIKeyNTRMNYKTDJIULH-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.82
Rot. Bonds7

About 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol

3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol (PubChem CID 20768499) has the molecular formula C6H14S6 and a molecular weight of 278.58 g/mol. Its IUPAC name is 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol.

Molecular Properties

Compound Name3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol
PubChem CID20768499
Molecular FormulaC6H14S6
Molecular Weight278.58 g/mol
Exact Mass277.94
IUPAC Name3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol
SMILESSCC(S)CSSCC(S)CS
InChIInChI=1S/C6H14S6/c7-1-5(9)3-11-12-4-6(10)2-8/h5-10H,1-4H2
InChIKeyNTRMNYKTDJIULH-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.82
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol 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-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol?
The IUPAC name of 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol (CID 20768499) is 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol.
What is the SMILES notation for 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol?
The canonical SMILES for 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol is SCC(S)CSSCC(S)CS.
What is the InChIKey of 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol?
The InChIKey is NTRMNYKTDJIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S6/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-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol?
3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol has a molecular weight of 278.58 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol is sourced from PubChem (CID 20768499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).