1-(prop-2-enyltrisulfanyl)propane

C6H12S3 — CID 525330

IUPAC1-(prop-2-enyltrisulfanyl)propane
SMILESC=CCSSSCCC
InChIInChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3
InChIKeyIXJMGVJLUBBAQW-UHFFFAOYSA-N
MW180.36 g/mol
LogP3.61
Rot. Bonds6

About 1-(prop-2-enyltrisulfanyl)propane

1-(prop-2-enyltrisulfanyl)propane (PubChem CID 525330) has the molecular formula C6H12S3 and a molecular weight of 180.36 g/mol. Its IUPAC name is 1-(prop-2-enyltrisulfanyl)propane.

Molecular Properties

Compound Name1-(prop-2-enyltrisulfanyl)propane
PubChem CID525330
Molecular FormulaC6H12S3
Molecular Weight180.36 g/mol
Exact Mass180.01
IUPAC Name1-(prop-2-enyltrisulfanyl)propane
SMILESC=CCSSSCCC
InChIInChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3
InChIKeyIXJMGVJLUBBAQW-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.36
LogP ≤ 53.61
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enyltrisulfanyl)propane?
The IUPAC name of 1-(prop-2-enyltrisulfanyl)propane (CID 525330) is 1-(prop-2-enyltrisulfanyl)propane.
What is the SMILES notation for 1-(prop-2-enyltrisulfanyl)propane?
The canonical SMILES for 1-(prop-2-enyltrisulfanyl)propane is C=CCSSSCCC.
What is the InChIKey of 1-(prop-2-enyltrisulfanyl)propane?
The InChIKey is IXJMGVJLUBBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-(prop-2-enyltrisulfanyl)propane?
1-(prop-2-enyltrisulfanyl)propane has a molecular weight of 180.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enyltrisulfanyl)propane is sourced from PubChem (CID 525330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).