3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan

C12H18O2S2 — CID 141015832

IUPAC3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan
SMILESCC1OC=CC1(C)SSC1(C)C=COC1C
InChIInChI=1S/C12H18O2S2/c1-9-11(3,5-7-13-9)15-16-12(4)6-8-14-10(12)2/h5-10H,1-4H3
InChIKeySXJHOFMBMBCDKN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.75
Rot. Bonds3

About 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan

3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan (PubChem CID 141015832) has the molecular formula C12H18O2S2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan.

Molecular Properties

Compound Name3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan
PubChem CID141015832
Molecular FormulaC12H18O2S2
Molecular Weight258.41 g/mol
Exact Mass258.07
IUPAC Name3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan
SMILESCC1OC=CC1(C)SSC1(C)C=COC1C
InChIInChI=1S/C12H18O2S2/c1-9-11(3,5-7-13-9)15-16-12(4)6-8-14-10(12)2/h5-10H,1-4H3
InChIKeySXJHOFMBMBCDKN-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan?
The IUPAC name of 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan (CID 141015832) is 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan.
What is the SMILES notation for 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan?
The canonical SMILES for 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan is CC1OC=CC1(C)SSC1(C)C=COC1C.
What is the InChIKey of 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan?
The InChIKey is SXJHOFMBMBCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S2/c1-9-11(3,5-7-13-9)15-16-12(4)6-8-14-10(12)2/h5-10H,1-4H3.
What are the key properties of 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan?
3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan has a molecular weight of 258.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan is sourced from PubChem (CID 141015832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).