1-(propylhexasulfanyl)propane

C6H14S6 — CID 14123242

IUPAC1-(propylhexasulfanyl)propane
SMILESCCCSSSSSSCCC
InChIInChI=1S/C6H14S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-6H2,1-2H3
InChIKeyJBESXNDPBMWNHE-UHFFFAOYSA-N
MW278.58 g/mol
LogP5.78
Rot. Bonds9

About 1-(propylhexasulfanyl)propane

1-(propylhexasulfanyl)propane (PubChem CID 14123242) has the molecular formula C6H14S6 and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(propylhexasulfanyl)propane.

Molecular Properties

Compound Name1-(propylhexasulfanyl)propane
PubChem CID14123242
Molecular FormulaC6H14S6
Molecular Weight278.58 g/mol
Exact Mass277.94
IUPAC Name1-(propylhexasulfanyl)propane
SMILESCCCSSSSSSCCC
InChIInChI=1S/C6H14S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-6H2,1-2H3
InChIKeyJBESXNDPBMWNHE-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(propylhexasulfanyl)propane?
The IUPAC name of 1-(propylhexasulfanyl)propane (CID 14123242) is 1-(propylhexasulfanyl)propane.
What is the SMILES notation for 1-(propylhexasulfanyl)propane?
The canonical SMILES for 1-(propylhexasulfanyl)propane is CCCSSSSSSCCC.
What is the InChIKey of 1-(propylhexasulfanyl)propane?
The InChIKey is JBESXNDPBMWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-(propylhexasulfanyl)propane?
1-(propylhexasulfanyl)propane has a molecular weight of 278.58 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylhexasulfanyl)propane is sourced from PubChem (CID 14123242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).