dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate

C6H6N2O4S — CID 11138142

IUPACdimethyl 1,2,5-thiadiazole-3,4-dicarboxylate
SMILESCOC(=O)c1nsnc1C(=O)OC
InChIInChI=1S/C6H6N2O4S/c1-11-5(9)3-4(6(10)12-2)8-13-7-3/h1-2H3
InChIKeyKSVZFUGIJFLQCH-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.11
Rot. Bonds2

About dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate

dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate (PubChem CID 11138142) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,5-thiadiazole-3,4-dicarboxylate
PubChem CID11138142
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Namedimethyl 1,2,5-thiadiazole-3,4-dicarboxylate
SMILESCOC(=O)c1nsnc1C(=O)OC
InChIInChI=1S/C6H6N2O4S/c1-11-5(9)3-4(6(10)12-2)8-13-7-3/h1-2H3
InChIKeyKSVZFUGIJFLQCH-UHFFFAOYSA-N
XLogP0.11
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate (CID 11138142) is dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate is COC(=O)c1nsnc1C(=O)OC.
What is the InChIKey of dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate?
The InChIKey is KSVZFUGIJFLQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c1-11-5(9)3-4(6(10)12-2)8-13-7-3/h1-2H3.
What are the key properties of dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate?
dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate has a molecular weight of 202.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,5-thiadiazole-3,4-dicarboxylate is sourced from PubChem (CID 11138142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).