3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide

C11H7Cl2N3OS — CID 55102759

IUPAC3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3OS/c12-6-2-1-3-7(8(6)13)17-11-9(10(14)18)15-4-5-16-11/h1-5H,(H2,14,18)
InChIKeyXPILGWSTWFIRRV-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.21
Rot. Bonds3

About 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide

3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide (PubChem CID 55102759) has the molecular formula C11H7Cl2N3OS and a molecular weight of 300.17 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
PubChem CID55102759
Molecular FormulaC11H7Cl2N3OS
Molecular Weight300.17 g/mol
Exact Mass298.97
IUPAC Name3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3OS/c12-6-2-1-3-7(8(6)13)17-11-9(10(14)18)15-4-5-16-11/h1-5H,(H2,14,18)
InChIKeyXPILGWSTWFIRRV-UHFFFAOYSA-N
XLogP3.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-fluorophenoxy)pyrazine-2-carbothioamide
CID 114264253
3-(3,4-dichlorophenoxy)pyrazine-2-carbothioamide
CID 62684473
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
3-(2-bromo-4-chlorophenoxy)pyrazine-2-carbothioamide
CID 62683633
(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
CID 114056372
3-(4-methylphenoxy)pyrazine-2-carbothioamide
CID 62684134
3-(4-methoxyphenoxy)pyrazine-2-carbothioamide
CID 55102710
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 61358026
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
3-(2-chlorophenoxy)pyrazin-2-amine
CID 102987821

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide?
The IUPAC name of 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide (CID 55102759) is 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide is NC(=S)c1nccnc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide?
The InChIKey is XPILGWSTWFIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3OS/c12-6-2-1-3-7(8(6)13)17-11-9(10(14)18)15-4-5-16-11/h1-5H,(H2,14,18).
What are the key properties of 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide?
3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide has a molecular weight of 300.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide is sourced from PubChem (CID 55102759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).