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'}

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Related Compounds

2-Methyl-2,3-dihydrofuran-3-thiol
CID 524174
2-Methyl-2-(methyl dithio}furan
CID 129681576
2-Ethyl-2,3-dihydrofuran-3-thiol
CID 22472244
5-Ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran
CID 22472245
2-Methyl-3-[(2-methyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,3-dihydrofuran
CID 22472267
2-methyl-2-[(2-methyl-3H-furan-2-yl)disulfanyl]-3H-furan
CID 87179272
2-methyl-2-[[(2-methyl-3H-furan-2-yl)methyldisulfanyl]methyl]-3H-furan
CID 87724796
3-[(2,2-dimethyl-3H-furan-3-yl)disulfanyl]-2,2-dimethyl-3H-furan
CID 88094887
3-[(2,3-dimethyl-2H-furan-3-yl)disulfanyl]-2,3-dimethyl-2H-furan
CID 141015832
2,3-Dihydrofuran-2-ylmethanethiol
CID 142762796
2-(Sulfanylmethyl)-2,3-dihydrofuran-3-thiol
CID 170360346

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).