2-(methyldisulfanyl)furan

C5H6OS2 — CID 6429429

IUPAC2-(methyldisulfanyl)furan
SMILESCSSc1ccco1
InChIInChI=1S/C5H6OS2/c1-7-8-5-3-2-4-6-5/h2-4H,1H3
InChIKeyVWBDHVFAXXPCEX-UHFFFAOYSA-N
MW146.24 g/mol
LogP2.65
Rot. Bonds2

About 2-(methyldisulfanyl)furan

2-(methyldisulfanyl)furan (PubChem CID 6429429) has the molecular formula C5H6OS2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 2-(methyldisulfanyl)furan.

Molecular Properties

Compound Name2-(methyldisulfanyl)furan
PubChem CID6429429
Molecular FormulaC5H6OS2
Molecular Weight146.24 g/mol
Exact Mass145.99
IUPAC Name2-(methyldisulfanyl)furan
SMILESCSSc1ccco1
InChIInChI=1S/C5H6OS2/c1-7-8-5-3-2-4-6-5/h2-4H,1H3
InChIKeyVWBDHVFAXXPCEX-UHFFFAOYSA-N
XLogP2.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methyldisulfanyl)furan?
The IUPAC name of 2-(methyldisulfanyl)furan (CID 6429429) is 2-(methyldisulfanyl)furan.
What is the SMILES notation for 2-(methyldisulfanyl)furan?
The canonical SMILES for 2-(methyldisulfanyl)furan is CSSc1ccco1.
What is the InChIKey of 2-(methyldisulfanyl)furan?
The InChIKey is VWBDHVFAXXPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS2/c1-7-8-5-3-2-4-6-5/h2-4H,1H3.
What are the key properties of 2-(methyldisulfanyl)furan?
2-(methyldisulfanyl)furan has a molecular weight of 146.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldisulfanyl)furan is sourced from PubChem (CID 6429429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).