3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione

C10H6Cl2N2S — CID 106514930

IUPAC3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H6Cl2N2S/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15)
InChIKeyZMXWDZKELXDCSC-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.11
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione

3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione (PubChem CID 106514930) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
PubChem CID106514930
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.14 g/mol
Exact Mass255.96
IUPAC Name3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H6Cl2N2S/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15)
InChIKeyZMXWDZKELXDCSC-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
CID 130705892
2-[4-chloro-2-(2-chlorophenyl)phenyl]-1H-imidazole
CID 91346378
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
CID 106520172
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
4-chloro-2-(1H-imidazol-2-yl)aniline
CID 55254071
5,6-bis(2,5-dichlorophenyl)pyridin-3-amine
CID 133087009
6-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
CID 106514900
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
2-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazine-4-thione
CID 71395734
3-pyridin-3-yl-1H-pyrazine-2-thione
CID 106513816
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione (CID 106514930) is 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione is S=c1[nH]ccnc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione?
The InChIKey is ZMXWDZKELXDCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15).
What are the key properties of 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione?
3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione has a molecular weight of 257.14 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106514930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).