methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate

C13H12N2O3S — CID 66458680

IUPACmethyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccccc2SC)n1
InChIInChI=1S/C13H12N2O3S/c1-17-13(16)9-7-14-8-12(15-9)18-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3
InChIKeyPHELYZQQKACPMJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.78
Rot. Bonds4

About methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate

methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate (PubChem CID 66458680) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
PubChem CID66458680
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccccc2SC)n1
InChIInChI=1S/C13H12N2O3S/c1-17-13(16)9-7-14-8-12(15-9)18-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3
InChIKeyPHELYZQQKACPMJ-UHFFFAOYSA-N
XLogP2.78
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
methyl 6-(2-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66451749
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate (CID 66458680) is methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccccc2SC)n1.
What is the InChIKey of methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate?
The InChIKey is PHELYZQQKACPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-17-13(16)9-7-14-8-12(15-9)18-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3.
What are the key properties of methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate?
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66458680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).