1-(methylpentasulfanyl)propane

C4H10S5 — CID 528716

IUPAC1-(methylpentasulfanyl)propane
SMILESCCCSSSSSC
InChIInChI=1S/C4H10S5/c1-3-4-6-8-9-7-5-2/h3-4H2,1-2H3
InChIKeyRFDQTEOGCIIPEK-UHFFFAOYSA-N
MW218.46 g/mol
LogP4.35
Rot. Bonds6

About 1-(methylpentasulfanyl)propane

1-(methylpentasulfanyl)propane (PubChem CID 528716) has the molecular formula C4H10S5 and a molecular weight of 218.46 g/mol. Its IUPAC name is 1-(methylpentasulfanyl)propane.

Molecular Properties

Compound Name1-(methylpentasulfanyl)propane
PubChem CID528716
Molecular FormulaC4H10S5
Molecular Weight218.46 g/mol
Exact Mass217.94
IUPAC Name1-(methylpentasulfanyl)propane
SMILESCCCSSSSSC
InChIInChI=1S/C4H10S5/c1-3-4-6-8-9-7-5-2/h3-4H2,1-2H3
InChIKeyRFDQTEOGCIIPEK-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dipropyl disulfide
CID 12377
Diethyl disulfide
CID 8077
Dipropyl trisulfide
CID 22383
Methyl propyl disulfide
CID 16592
2,3-Butanedithiol
CID 548353
Diethyl trisulfide
CID 77151
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
Ethyl propyl disulfide
CID 35349
Amyl methyl disulfide
CID 522459
1,2-Butanedithiol
CID 61829
Butyl ethyl disulfide
CID 522111

Frequently Asked Questions

What is the IUPAC name of 1-(methylpentasulfanyl)propane?
The IUPAC name of 1-(methylpentasulfanyl)propane (CID 528716) is 1-(methylpentasulfanyl)propane.
What is the SMILES notation for 1-(methylpentasulfanyl)propane?
The canonical SMILES for 1-(methylpentasulfanyl)propane is CCCSSSSSC.
What is the InChIKey of 1-(methylpentasulfanyl)propane?
The InChIKey is RFDQTEOGCIIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S5/c1-3-4-6-8-9-7-5-2/h3-4H2,1-2H3.
What are the key properties of 1-(methylpentasulfanyl)propane?
1-(methylpentasulfanyl)propane has a molecular weight of 218.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylpentasulfanyl)propane is sourced from PubChem (CID 528716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).