O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate

C11H8N2OS2 — CID 87588194

IUPACO-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
SMILESS=C(Oc1ccccn1)Sc1ccccn1
InChIInChI=1S/C11H8N2OS2/c15-11(14-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H
InChIKeyMDKXMTVKJBBBQJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.93
Rot. Bonds2

About O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate

O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate (PubChem CID 87588194) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate.

Molecular Properties

Compound NameO-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
PubChem CID87588194
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC NameO-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
SMILESS=C(Oc1ccccn1)Sc1ccccn1
InChIInChI=1S/C11H8N2OS2/c15-11(14-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H
InChIKeyMDKXMTVKJBBBQJ-UHFFFAOYSA-N
XLogP2.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.93
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

dipyridin-2-yl carbonate
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[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
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O-pyridin-2-yl pyrazine-2-carbothioate
CID 90721985
S-pyridin-2-yl pyridine-2-carbothioate
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(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
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2-[amino(hydroxy)phosphinothioyl]oxypyridine
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CID 70530301
S-pyridin-2-yl cyclohexanecarbothioate
CID 12531414
formic acid;pyridin-2-yl acetate
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Frequently Asked Questions

What is the IUPAC name of O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate?
The IUPAC name of O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate (CID 87588194) is O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate.
What is the SMILES notation for O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate?
The canonical SMILES for O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate is S=C(Oc1ccccn1)Sc1ccccn1.
What is the InChIKey of O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate?
The InChIKey is MDKXMTVKJBBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c15-11(14-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H.
What are the key properties of O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate?
O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate has a molecular weight of 248.33 g/mol, XLogP of 2.93, 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 pyridin-2-ylsulfanylmethanethioate is sourced from PubChem (CID 87588194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).