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

C8H5ClN2S2 — CID 130705892

IUPAC3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1ccsc1Cl
InChIInChI=1S/C8H5ClN2S2/c9-7-5(1-4-13-7)6-8(12)11-3-2-10-6/h1-4H,(H,11,12)
InChIKeyONZZNUSERSNEAS-UHFFFAOYSA-N
MW228.73 g/mol
LogP3.52
Rot. Bonds1

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

3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione (PubChem CID 130705892) has the molecular formula C8H5ClN2S2 and a molecular weight of 228.73 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
PubChem CID130705892
Molecular FormulaC8H5ClN2S2
Molecular Weight228.73 g/mol
Exact Mass227.96
IUPAC Name3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1ccsc1Cl
InChIInChI=1S/C8H5ClN2S2/c9-7-5(1-4-13-7)6-8(12)11-3-2-10-6/h1-4H,(H,11,12)
InChIKeyONZZNUSERSNEAS-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione (CID 130705892) is 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione is S=c1[nH]ccnc1-c1ccsc1Cl.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione?
The InChIKey is ONZZNUSERSNEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S2/c9-7-5(1-4-13-7)6-8(12)11-3-2-10-6/h1-4H,(H,11,12).
What are the key properties of 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione?
3-(2-chlorothiophen-3-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 3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione is sourced from PubChem (CID 130705892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).