dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate

C8H8O4S2 — CID 10657202

IUPACdimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate
SMILESC=C1SC(C(=O)OC)=C(C(=O)OC)S1
InChIInChI=1S/C8H8O4S2/c1-4-13-5(7(9)11-2)6(14-4)8(10)12-3/h1H2,2-3H3
InChIKeyAXVUBQIAEALPSA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.50
Rot. Bonds2

About dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate

dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate (PubChem CID 10657202) has the molecular formula C8H8O4S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate
PubChem CID10657202
Molecular FormulaC8H8O4S2
Molecular Weight232.28 g/mol
Exact Mass231.99
IUPAC Namedimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate
SMILESC=C1SC(C(=O)OC)=C(C(=O)OC)S1
InChIInChI=1S/C8H8O4S2/c1-4-13-5(7(9)11-2)6(14-4)8(10)12-3/h1H2,2-3H3
InChIKeyAXVUBQIAEALPSA-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate (CID 10657202) is dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate is C=C1SC(C(=O)OC)=C(C(=O)OC)S1.
What is the InChIKey of dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate?
The InChIKey is AXVUBQIAEALPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S2/c1-4-13-5(7(9)11-2)6(14-4)8(10)12-3/h1H2,2-3H3.
What are the key properties of dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate?
dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate has a molecular weight of 232.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methylidene-1,3-dithiole-4,5-dicarboxylate is sourced from PubChem (CID 10657202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).