3-(prop-2-enyldisulfanyl)pentane

C8H16S2 — CID 163195820

IUPAC3-(prop-2-enyldisulfanyl)pentane
SMILESC=CCSSC(CC)CC
InChIInChI=1S/C8H16S2/c1-4-7-9-10-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyXOUZTTZMVAWRNI-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.74
Rot. Bonds6

About 3-(prop-2-enyldisulfanyl)pentane

3-(prop-2-enyldisulfanyl)pentane (PubChem CID 163195820) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 3-(prop-2-enyldisulfanyl)pentane.

Molecular Properties

Compound Name3-(prop-2-enyldisulfanyl)pentane
PubChem CID163195820
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name3-(prop-2-enyldisulfanyl)pentane
SMILESC=CCSSC(CC)CC
InChIInChI=1S/C8H16S2/c1-4-7-9-10-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyXOUZTTZMVAWRNI-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(prop-2-enyldisulfanyl)pentane?
The IUPAC name of 3-(prop-2-enyldisulfanyl)pentane (CID 163195820) is 3-(prop-2-enyldisulfanyl)pentane.
What is the SMILES notation for 3-(prop-2-enyldisulfanyl)pentane?
The canonical SMILES for 3-(prop-2-enyldisulfanyl)pentane is C=CCSSC(CC)CC.
What is the InChIKey of 3-(prop-2-enyldisulfanyl)pentane?
The InChIKey is XOUZTTZMVAWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-4-7-9-10-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3-(prop-2-enyldisulfanyl)pentane?
3-(prop-2-enyldisulfanyl)pentane has a molecular weight of 176.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enyldisulfanyl)pentane is sourced from PubChem (CID 163195820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).