1-(propylpentasulfanyl)propane

C6H14S5 — CID 14123238

IUPAC1-(propylpentasulfanyl)propane
SMILESCCCSSSSSCCC
InChIInChI=1S/C6H14S5/c1-3-5-7-9-11-10-8-6-4-2/h3-6H2,1-2H3
InChIKeyOCXRMGKGQQCPFD-UHFFFAOYSA-N
MW246.51 g/mol
LogP5.13
Rot. Bonds8

About 1-(propylpentasulfanyl)propane

1-(propylpentasulfanyl)propane (PubChem CID 14123238) has the molecular formula C6H14S5 and a molecular weight of 246.51 g/mol. Its IUPAC name is 1-(propylpentasulfanyl)propane.

Molecular Properties

Compound Name1-(propylpentasulfanyl)propane
PubChem CID14123238
Molecular FormulaC6H14S5
Molecular Weight246.51 g/mol
Exact Mass245.97
IUPAC Name1-(propylpentasulfanyl)propane
SMILESCCCSSSSSCCC
InChIInChI=1S/C6H14S5/c1-3-5-7-9-11-10-8-6-4-2/h3-6H2,1-2H3
InChIKeyOCXRMGKGQQCPFD-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.51
LogP ≤ 55.13
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-(propylpentasulfanyl)propane?
The IUPAC name of 1-(propylpentasulfanyl)propane (CID 14123238) is 1-(propylpentasulfanyl)propane.
What is the SMILES notation for 1-(propylpentasulfanyl)propane?
The canonical SMILES for 1-(propylpentasulfanyl)propane is CCCSSSSSCCC.
What is the InChIKey of 1-(propylpentasulfanyl)propane?
The InChIKey is OCXRMGKGQQCPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S5/c1-3-5-7-9-11-10-8-6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-(propylpentasulfanyl)propane?
1-(propylpentasulfanyl)propane has a molecular weight of 246.51 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylpentasulfanyl)propane is sourced from PubChem (CID 14123238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).