O-pyridin-2-yl pyrazine-2-carbothioate

C10H7N3OS — CID 90721985

IUPACO-pyridin-2-yl pyrazine-2-carbothioate
SMILESS=C(Oc1ccccn1)c1cnccn1
InChIInChI=1S/C10H7N3OS/c15-10(8-7-11-5-6-12-8)14-9-3-1-2-4-13-9/h1-7H
InChIKeyBLTQSYNUVVOPKT-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.63
Rot. Bonds2

About O-pyridin-2-yl pyrazine-2-carbothioate

O-pyridin-2-yl pyrazine-2-carbothioate (PubChem CID 90721985) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is O-pyridin-2-yl pyrazine-2-carbothioate.

Molecular Properties

Compound NameO-pyridin-2-yl pyrazine-2-carbothioate
PubChem CID90721985
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC NameO-pyridin-2-yl pyrazine-2-carbothioate
SMILESS=C(Oc1ccccn1)c1cnccn1
InChIInChI=1S/C10H7N3OS/c15-10(8-7-11-5-6-12-8)14-9-3-1-2-4-13-9/h1-7H
InChIKeyBLTQSYNUVVOPKT-UHFFFAOYSA-N
XLogP1.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
dipyridin-2-yl carbonate
CID 2757370
O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
CID 87588194
pyridine-2-carbothioamide;hydrochloride
CID 57440257
2-[amino(hydroxy)phosphinothioyl]oxypyridine
CID 149253940
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
1-pyridin-2-ylethanethione
CID 89010255
(E)-2-phenyl-1-pyrazin-2-ylethenol
CID 19838976
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313

Frequently Asked Questions

What is the IUPAC name of O-pyridin-2-yl pyrazine-2-carbothioate?
The IUPAC name of O-pyridin-2-yl pyrazine-2-carbothioate (CID 90721985) is O-pyridin-2-yl pyrazine-2-carbothioate.
What is the SMILES notation for O-pyridin-2-yl pyrazine-2-carbothioate?
The canonical SMILES for O-pyridin-2-yl pyrazine-2-carbothioate is S=C(Oc1ccccn1)c1cnccn1.
What is the InChIKey of O-pyridin-2-yl pyrazine-2-carbothioate?
The InChIKey is BLTQSYNUVVOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c15-10(8-7-11-5-6-12-8)14-9-3-1-2-4-13-9/h1-7H.
What are the key properties of O-pyridin-2-yl pyrazine-2-carbothioate?
O-pyridin-2-yl pyrazine-2-carbothioate has a molecular weight of 217.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-pyridin-2-yl pyrazine-2-carbothioate is sourced from PubChem (CID 90721985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).