2-[(prop-2-enyldisulfanyl)methyl]oxirane

C6H10OS2 — CID 22621474

IUPAC2-[(prop-2-enyldisulfanyl)methyl]oxirane
SMILESC=CCSSCC1CO1
InChIInChI=1S/C6H10OS2/c1-2-3-8-9-5-6-4-7-6/h2,6H,1,3-5H2
InChIKeyWBSFKDANECRGOX-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.95
Rot. Bonds5

About 2-[(prop-2-enyldisulfanyl)methyl]oxirane

2-[(prop-2-enyldisulfanyl)methyl]oxirane (PubChem CID 22621474) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-[(prop-2-enyldisulfanyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(prop-2-enyldisulfanyl)methyl]oxirane
PubChem CID22621474
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name2-[(prop-2-enyldisulfanyl)methyl]oxirane
SMILESC=CCSSCC1CO1
InChIInChI=1S/C6H10OS2/c1-2-3-8-9-5-6-4-7-6/h2,6H,1,3-5H2
InChIKeyWBSFKDANECRGOX-UHFFFAOYSA-N
XLogP1.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.95
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(prop-2-enyldisulfanyl)methyl]oxirane?
The IUPAC name of 2-[(prop-2-enyldisulfanyl)methyl]oxirane (CID 22621474) is 2-[(prop-2-enyldisulfanyl)methyl]oxirane.
What is the SMILES notation for 2-[(prop-2-enyldisulfanyl)methyl]oxirane?
The canonical SMILES for 2-[(prop-2-enyldisulfanyl)methyl]oxirane is C=CCSSCC1CO1.
What is the InChIKey of 2-[(prop-2-enyldisulfanyl)methyl]oxirane?
The InChIKey is WBSFKDANECRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-2-3-8-9-5-6-4-7-6/h2,6H,1,3-5H2.
What are the key properties of 2-[(prop-2-enyldisulfanyl)methyl]oxirane?
2-[(prop-2-enyldisulfanyl)methyl]oxirane has a molecular weight of 162.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(prop-2-enyldisulfanyl)methyl]oxirane is sourced from PubChem (CID 22621474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).