O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate

C12H14N2OS2 — CID 1279828

IUPACO-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate
SMILESCCOC(=S)SCc1cn2cccc(C)c2n1
InChIInChI=1S/C12H14N2OS2/c1-3-15-12(16)17-8-10-7-14-6-4-5-9(2)11(14)13-10/h4-7H,3,8H2,1-2H3
InChIKeyWMYVPKJGICOILU-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.20
Rot. Bonds3

About O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate

O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate (PubChem CID 1279828) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate
PubChem CID1279828
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC NameO-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate
SMILESCCOC(=S)SCc1cn2cccc(C)c2n1
InChIInChI=1S/C12H14N2OS2/c1-3-15-12(16)17-8-10-7-14-6-4-5-9(2)11(14)13-10/h4-7H,3,8H2,1-2H3
InChIKeyWMYVPKJGICOILU-UHFFFAOYSA-N
XLogP3.20
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate?
The IUPAC name of O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate (CID 1279828) is O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate.
What is the SMILES notation for O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate?
The canonical SMILES for O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate is CCOC(=S)SCc1cn2cccc(C)c2n1.
What is the InChIKey of O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate?
The InChIKey is WMYVPKJGICOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-3-15-12(16)17-8-10-7-14-6-4-5-9(2)11(14)13-10/h4-7H,3,8H2,1-2H3.
What are the key properties of O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate?
O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate has a molecular weight of 266.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl (8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethanethioate is sourced from PubChem (CID 1279828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).