2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran

C10H14O2S2 — CID 524178

IUPAC2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran
SMILESCC1OC=CC1SSC1C=COC1C
InChIInChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-10H,1-2H3
InChIKeyPGDKPVCNQBBCCW-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran

2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran (PubChem CID 524178) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran
PubChem CID524178
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran
SMILESCC1OC=CC1SSC1C=COC1C
InChIInChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-10H,1-2H3
InChIKeyPGDKPVCNQBBCCW-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran?
The IUPAC name of 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran (CID 524178) is 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran.
What is the SMILES notation for 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran?
The canonical SMILES for 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran is CC1OC=CC1SSC1C=COC1C.
What is the InChIKey of 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran?
The InChIKey is PGDKPVCNQBBCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-10H,1-2H3.
What are the key properties of 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran?
2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran has a molecular weight of 230.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2,3-dihydrofuran is sourced from PubChem (CID 524178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).