2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan

C10H14O2S2 — CID 87179272

IUPAC2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan
SMILESCC1(SSC2(C)CC=CO2)CC=CO1
InChIInChI=1S/C10H14O2S2/c1-9(5-3-7-11-9)13-14-10(2)6-4-8-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyFVWBDIUBKXJSRZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.67
Rot. Bonds3

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

2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan (PubChem CID 87179272) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan
PubChem CID87179272
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan
SMILESCC1(SSC2(C)CC=CO2)CC=CO1
InChIInChI=1S/C10H14O2S2/c1-9(5-3-7-11-9)13-14-10(2)6-4-8-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyFVWBDIUBKXJSRZ-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.67
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 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan?
The IUPAC name of 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan (CID 87179272) is 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan?
The canonical SMILES for 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan is CC1(SSC2(C)CC=CO2)CC=CO1.
What is the InChIKey of 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan?
The InChIKey is FVWBDIUBKXJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-9(5-3-7-11-9)13-14-10(2)6-4-8-12-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan?
2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan has a molecular weight of 230.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan is sourced from PubChem (CID 87179272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).