3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione

C13H14N2O2S — CID 106521522

IUPAC3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
SMILESCOCCOc1ccccc1-c1ncc[nH]c1=S
InChIInChI=1S/C13H14N2O2S/c1-16-8-9-17-11-5-3-2-4-10(11)12-13(18)15-7-6-14-12/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyGRPULGQUSDTIHS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.83
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione

3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione (PubChem CID 106521522) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
PubChem CID106521522
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
SMILESCOCCOc1ccccc1-c1ncc[nH]c1=S
InChIInChI=1S/C13H14N2O2S/c1-16-8-9-17-11-5-3-2-4-10(11)12-13(18)15-7-6-14-12/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyGRPULGQUSDTIHS-UHFFFAOYSA-N
XLogP2.83
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
N-ethyl-3-[2-(2-methoxyethoxy)phenyl]pyrazin-2-amine
CID 104663215
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
CID 106520172
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione (CID 106521522) is 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione is COCCOc1ccccc1-c1ncc[nH]c1=S.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione?
The InChIKey is GRPULGQUSDTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-16-8-9-17-11-5-3-2-4-10(11)12-13(18)15-7-6-14-12/h2-7H,8-9H2,1H3,(H,15,18).
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione?
3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione has a molecular weight of 262.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione is sourced from PubChem (CID 106521522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).