dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate

C12H8O5S4 — CID 15314866

IUPACdimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)SC(=C2Sc3cocc3S2)S1
InChIInChI=1S/C12H8O5S4/c1-15-9(13)7-8(10(14)16-2)21-12(20-7)11-18-5-3-17-4-6(5)19-11/h3-4H,1-2H3
InChIKeyVWCAIISINRFCQW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.64
Rot. Bonds2

About dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate

dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate (PubChem CID 15314866) has the molecular formula C12H8O5S4 and a molecular weight of 360.46 g/mol. Its IUPAC name is dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
PubChem CID15314866
Molecular FormulaC12H8O5S4
Molecular Weight360.46 g/mol
Exact Mass359.93
IUPAC Namedimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)SC(=C2Sc3cocc3S2)S1
InChIInChI=1S/C12H8O5S4/c1-15-9(13)7-8(10(14)16-2)21-12(20-7)11-18-5-3-17-4-6(5)19-11/h3-4H,1-2H3
InChIKeyVWCAIISINRFCQW-UHFFFAOYSA-N
XLogP3.64
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl thiirene-2,3-dicarboxylate
CID 71322546
dimethyl 2-[4-[5-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]cyclohexylidene]-1,3-dithiole-4,5-dicarboxylate
CID 101355998
dimethyl 2-[5-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]thiolan-2-ylidene]-1,3-dithiole-4,5-dicarboxylate
CID 10984168
dimethyl 2-(5,6-dihydro-[1,4]diselenino[2,3-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
CID 11733861
methyl (2E)-2-(4-methoxycarbonyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
CID 12007614
bis(5,6-bis(methoxycarbonyl)-1,4-dithiine-2,3-dithiolate);nickel
CID 134868916
dimethyl 2-[2-[5-[1,2-bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]ethyl]furan-2-yl]-2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]ethylidene]-1,3-dithiole-4,5-dicarboxylate
CID 102045378
dimethyl 2-[1-[4-[1-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]ethyl]-2,5-bis(2-trimethylsilylethynyl)phenyl]ethylidene]-1,3-dithiole-4,5-dicarboxylate
CID 139123759
dimethyl 2-[4,5-bis(2-isocyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate
CID 159507392
4-methoxycarbonylfuran-3-carboxylate
CID 18696610
methyl 2-[10-(4,5-dimethyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-5-methyl-1,3-dithiole-4-carboxylate
CID 15417467
dimethyl 2-[2-[5-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]ethylidene]-1,3-dithiole-4,5-dicarboxylate
CID 101230705

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate (CID 15314866) is dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)SC(=C2Sc3cocc3S2)S1.
What is the InChIKey of dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The InChIKey is VWCAIISINRFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5S4/c1-15-9(13)7-8(10(14)16-2)21-12(20-7)11-18-5-3-17-4-6(5)19-11/h3-4H,1-2H3.
What are the key properties of dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate?
dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate has a molecular weight of 360.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-([1,3]dithiolo[4,5-c]furan-2-ylidene)-1,3-dithiole-4,5-dicarboxylate is sourced from PubChem (CID 15314866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).