3-(methyltetrasulfanyl)prop-1-ene

C4H8S4 — CID 525329

IUPAC3-(methyltetrasulfanyl)prop-1-ene
SMILESC=CCSSSSC
InChIInChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
InChIKeyBHIKXWJMZCALEK-UHFFFAOYSA-N
MW184.38 g/mol
LogP3.48
Rot. Bonds5

About 3-(methyltetrasulfanyl)prop-1-ene

3-(methyltetrasulfanyl)prop-1-ene (PubChem CID 525329) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 3-(methyltetrasulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(methyltetrasulfanyl)prop-1-ene
PubChem CID525329
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name3-(methyltetrasulfanyl)prop-1-ene
SMILESC=CCSSSSC
InChIInChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
InChIKeyBHIKXWJMZCALEK-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(methyltetrasulfanyl)prop-1-ene?
The IUPAC name of 3-(methyltetrasulfanyl)prop-1-ene (CID 525329) is 3-(methyltetrasulfanyl)prop-1-ene.
What is the SMILES notation for 3-(methyltetrasulfanyl)prop-1-ene?
The canonical SMILES for 3-(methyltetrasulfanyl)prop-1-ene is C=CCSSSSC.
What is the InChIKey of 3-(methyltetrasulfanyl)prop-1-ene?
The InChIKey is BHIKXWJMZCALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3.
What are the key properties of 3-(methyltetrasulfanyl)prop-1-ene?
3-(methyltetrasulfanyl)prop-1-ene has a molecular weight of 184.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyltetrasulfanyl)prop-1-ene is sourced from PubChem (CID 525329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).