2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan

C10H10O3S2 — CID 71576322

IUPAC2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan
SMILESO=S(Cc1ccco1)SCc1ccco1
InChIInChI=1S/C10H10O3S2/c11-15(8-10-4-2-6-13-10)14-7-9-3-1-5-12-9/h1-6H,7-8H2
InChIKeyNFASRRDMCUQXKP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.97
Rot. Bonds5

About 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan

2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan (PubChem CID 71576322) has the molecular formula C10H10O3S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan
PubChem CID71576322
Molecular FormulaC10H10O3S2
Molecular Weight242.32 g/mol
Exact Mass242.01
IUPAC Name2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan
SMILESO=S(Cc1ccco1)SCc1ccco1
InChIInChI=1S/C10H10O3S2/c11-15(8-10-4-2-6-13-10)14-7-9-3-1-5-12-9/h1-6H,7-8H2
InChIKeyNFASRRDMCUQXKP-UHFFFAOYSA-N
XLogP2.97
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(S)-methylsulfinyl]methyl]furan
CID 119098303
furan-2-ylmethylsulfanylformic acid
CID 87843424
furan-2-ylmethanethiol;methylsulfinylmethane
CID 174344975
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
furan-2-ylmethanethiol
CID 158949317
3-(furan-2-yl)prop-1-en-1-one
CID 22058153
S-(furan-2-ylmethyl) 3-methylbut-2-enethioate
CID 57051934
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
2-[[methyl(sulfinato)amino]methyl]furan
CID 57032759
2,2,3-tris(furan-2-ylmethylsulfanyl)propanoic acid
CID 88542367
2-(3-methylsulfonylpropylsulfanylmethyl)furan
CID 71930272
2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
CID 15212982

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan?
The IUPAC name of 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan (CID 71576322) is 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan.
What is the SMILES notation for 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan?
The canonical SMILES for 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan is O=S(Cc1ccco1)SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan?
The InChIKey is NFASRRDMCUQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S2/c11-15(8-10-4-2-6-13-10)14-7-9-3-1-5-12-9/h1-6H,7-8H2.
What are the key properties of 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan?
2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan has a molecular weight of 242.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan is sourced from PubChem (CID 71576322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).