3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione

C9H7N3S2 — CID 173359616

IUPAC3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1Sc1ccccn1
InChIInChI=1S/C9H7N3S2/c13-8-9(12-6-5-11-8)14-7-3-1-2-4-10-7/h1-6H,(H,11,13)
InChIKeyDVNCQFNYLHXIFG-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.69
Rot. Bonds2

About 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione

3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione (PubChem CID 173359616) has the molecular formula C9H7N3S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione
PubChem CID173359616
Molecular FormulaC9H7N3S2
Molecular Weight221.31 g/mol
Exact Mass221.01
IUPAC Name3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1Sc1ccccn1
InChIInChI=1S/C9H7N3S2/c13-8-9(12-6-5-11-8)14-7-3-1-2-4-10-7/h1-6H,(H,11,13)
InChIKeyDVNCQFNYLHXIFG-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione?
The IUPAC name of 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione (CID 173359616) is 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione is S=c1[nH]ccnc1Sc1ccccn1.
What is the InChIKey of 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione?
The InChIKey is DVNCQFNYLHXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S2/c13-8-9(12-6-5-11-8)14-7-3-1-2-4-10-7/h1-6H,(H,11,13).
What are the key properties of 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione?
3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione has a molecular weight of 221.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione is sourced from PubChem (CID 173359616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).