methyl 5-ethylsulfanylpyrazine-2-carboxylate

C8H10N2O2S — CID 58448907

IUPACmethyl 5-ethylsulfanylpyrazine-2-carboxylate
SMILESCCSc1cnc(C(=O)OC)cn1
InChIInChI=1S/C8H10N2O2S/c1-3-13-7-5-9-6(4-10-7)8(11)12-2/h4-5H,3H2,1-2H3
InChIKeyBFZISMJQJPLQHS-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.38
Rot. Bonds3

About methyl 5-ethylsulfanylpyrazine-2-carboxylate

methyl 5-ethylsulfanylpyrazine-2-carboxylate (PubChem CID 58448907) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 5-ethylsulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylsulfanylpyrazine-2-carboxylate
PubChem CID58448907
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 5-ethylsulfanylpyrazine-2-carboxylate
SMILESCCSc1cnc(C(=O)OC)cn1
InChIInChI=1S/C8H10N2O2S/c1-3-13-7-5-9-6(4-10-7)8(11)12-2/h4-5H,3H2,1-2H3
InChIKeyBFZISMJQJPLQHS-UHFFFAOYSA-N
XLogP1.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylsulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-ethylsulfanylpyrazine-2-carboxylate (CID 58448907) is methyl 5-ethylsulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-ethylsulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-ethylsulfanylpyrazine-2-carboxylate is CCSc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-ethylsulfanylpyrazine-2-carboxylate?
The InChIKey is BFZISMJQJPLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-3-13-7-5-9-6(4-10-7)8(11)12-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 5-ethylsulfanylpyrazine-2-carboxylate?
methyl 5-ethylsulfanylpyrazine-2-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylsulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 58448907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).