ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate

C7H6FN3O2S — CID 143567131

IUPACethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(C#N)n1SF
InChIInChI=1S/C7H6FN3O2S/c1-2-13-7(12)5-4-10-6(3-9)11(5)14-8/h4H,2H2,1H3
InChIKeyUVMBCDYXUWNJHL-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate

ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate (PubChem CID 143567131) has the molecular formula C7H6FN3O2S and a molecular weight of 215.21 g/mol. Its IUPAC name is ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate
PubChem CID143567131
Molecular FormulaC7H6FN3O2S
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Nameethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(C#N)n1SF
InChIInChI=1S/C7H6FN3O2S/c1-2-13-7(12)5-4-10-6(3-9)11(5)14-8/h4H,2H2,1H3
InChIKeyUVMBCDYXUWNJHL-UHFFFAOYSA-N
XLogP1.31
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate (CID 143567131) is ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate is CCOC(=O)c1cnc(C#N)n1SF.
What is the InChIKey of ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate?
The InChIKey is UVMBCDYXUWNJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2S/c1-2-13-7(12)5-4-10-6(3-9)11(5)14-8/h4H,2H2,1H3.
What are the key properties of ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate?
ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-fluorosulfanylimidazole-4-carboxylate is sourced from PubChem (CID 143567131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).