5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione

C8H5ClN2S2 — CID 130678909

IUPAC5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione
SMILESS=c1cnc(-c2sccc2Cl)c[nH]1
InChIInChI=1S/C8H5ClN2S2/c9-5-1-2-13-8(5)6-3-11-7(12)4-10-6/h1-4H,(H,11,12)
InChIKeyLMCWWXIOOPKGRZ-UHFFFAOYSA-N
MW228.73 g/mol
LogP3.52
Rot. Bonds1

About 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione

5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione (PubChem CID 130678909) has the molecular formula C8H5ClN2S2 and a molecular weight of 228.73 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione
PubChem CID130678909
Molecular FormulaC8H5ClN2S2
Molecular Weight228.73 g/mol
Exact Mass227.96
IUPAC Name5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione
SMILESS=c1cnc(-c2sccc2Cl)c[nH]1
InChIInChI=1S/C8H5ClN2S2/c9-5-1-2-13-8(5)6-3-11-7(12)4-10-6/h1-4H,(H,11,12)
InChIKeyLMCWWXIOOPKGRZ-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-chlorothiophen-2-yl)pyridine
CID 107360947
5-(3-chlorothiophen-2-yl)-1H-pyrimidine-6-thione
CID 107362504
2-bromo-6-(3-chlorothiophen-2-yl)pyridine
CID 107360930
3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
CID 107360927
4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 107362495
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
3-(3-chlorothiophen-2-yl)-1-methylpyrazole
CID 142305317
5-(3-chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 107360465
[2-(3-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanol
CID 130778852
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione (CID 130678909) is 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione is S=c1cnc(-c2sccc2Cl)c[nH]1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione?
The InChIKey is LMCWWXIOOPKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S2/c9-5-1-2-13-8(5)6-3-11-7(12)4-10-6/h1-4H,(H,11,12).
What are the key properties of 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione?
5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione has a molecular weight of 228.73 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-1H-pyrazine-2-thione is sourced from PubChem (CID 130678909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).