oxomolybdenum;1-(propyldisulfanyl)propane

C6H14MoOS2 — CID 174771209

IUPACoxomolybdenum;1-(propyldisulfanyl)propane
SMILESCCCSSCCC.O=[Mo]
InChIInChI=1S/C6H14S2.Mo.O/c1-3-5-7-8-6-4-2;;/h3-6H2,1-2H3;;
InChIKeyVQYCONOITFBLKG-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.07
Rot. Bonds5

About oxomolybdenum;1-(propyldisulfanyl)propane

oxomolybdenum;1-(propyldisulfanyl)propane (PubChem CID 174771209) has the molecular formula C6H14MoOS2 and a molecular weight of 262.25 g/mol. Its IUPAC name is oxomolybdenum;1-(propyldisulfanyl)propane.

Molecular Properties

Compound Nameoxomolybdenum;1-(propyldisulfanyl)propane
PubChem CID174771209
Molecular FormulaC6H14MoOS2
Molecular Weight262.25 g/mol
Exact Mass263.95
IUPAC Nameoxomolybdenum;1-(propyldisulfanyl)propane
SMILESCCCSSCCC.O=[Mo]
InChIInChI=1S/C6H14S2.Mo.O/c1-3-5-7-8-6-4-2;;/h3-6H2,1-2H3;;
InChIKeyVQYCONOITFBLKG-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxomolybdenum;1-(propyldisulfanyl)propane 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 oxomolybdenum;1-(propyldisulfanyl)propane?
The IUPAC name of oxomolybdenum;1-(propyldisulfanyl)propane (CID 174771209) is oxomolybdenum;1-(propyldisulfanyl)propane.
What is the SMILES notation for oxomolybdenum;1-(propyldisulfanyl)propane?
The canonical SMILES for oxomolybdenum;1-(propyldisulfanyl)propane is CCCSSCCC.O=[Mo].
What is the InChIKey of oxomolybdenum;1-(propyldisulfanyl)propane?
The InChIKey is VQYCONOITFBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2.Mo.O/c1-3-5-7-8-6-4-2;;/h3-6H2,1-2H3;;.
What are the key properties of oxomolybdenum;1-(propyldisulfanyl)propane?
oxomolybdenum;1-(propyldisulfanyl)propane has a molecular weight of 262.25 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxomolybdenum;1-(propyldisulfanyl)propane is sourced from PubChem (CID 174771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).