2-[(furan-2-ylmethyldisulfanyl)methyl]furan

C10H10O2S2 — CID 20499

IUPAC2-[(furan-2-ylmethyldisulfanyl)methyl]furan
SMILESc1coc(CSSCc2ccco2)c1
InChIInChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
InChIKeyCBJPZHSWLMJQRI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.95
Rot. Bonds5

About 2-[(furan-2-ylmethyldisulfanyl)methyl]furan

2-[(furan-2-ylmethyldisulfanyl)methyl]furan (PubChem CID 20499) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(furan-2-ylmethyldisulfanyl)methyl]furan.

Molecular Properties

Compound Name2-[(furan-2-ylmethyldisulfanyl)methyl]furan
PubChem CID20499
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-[(furan-2-ylmethyldisulfanyl)methyl]furan
SMILESc1coc(CSSCc2ccco2)c1
InChIInChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
InChIKeyCBJPZHSWLMJQRI-UHFFFAOYSA-N
XLogP3.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-ylmethyldisulfanyl)methyl]furan?
The IUPAC name of 2-[(furan-2-ylmethyldisulfanyl)methyl]furan (CID 20499) is 2-[(furan-2-ylmethyldisulfanyl)methyl]furan.
What is the SMILES notation for 2-[(furan-2-ylmethyldisulfanyl)methyl]furan?
The canonical SMILES for 2-[(furan-2-ylmethyldisulfanyl)methyl]furan is c1coc(CSSCc2ccco2)c1.
What is the InChIKey of 2-[(furan-2-ylmethyldisulfanyl)methyl]furan?
The InChIKey is CBJPZHSWLMJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2.
What are the key properties of 2-[(furan-2-ylmethyldisulfanyl)methyl]furan?
2-[(furan-2-ylmethyldisulfanyl)methyl]furan has a molecular weight of 226.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-ylmethyldisulfanyl)methyl]furan is sourced from PubChem (CID 20499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).