imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane

C6H8N2OS — CID 12634435

IUPACimino-methyl-oxo-pyridin-2-yl-lambda6-sulfane
SMILES[H]N=S(C)(=O)c1ccccn1
InChIInChI=1S/C6H8N2OS/c1-10(7,9)6-4-2-3-5-8-6/h2-5,7H,1H3
InChIKeyMDNTYTKCIIHFIN-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.12
Rot. Bonds1

About imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane

imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane (PubChem CID 12634435) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-pyridin-2-yl-lambda6-sulfane
PubChem CID12634435
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Nameimino-methyl-oxo-pyridin-2-yl-lambda6-sulfane
SMILES[H]N=S(C)(=O)c1ccccn1
InChIInChI=1S/C6H8N2OS/c1-10(7,9)6-4-2-3-5-8-6/h2-5,7H,1H3
InChIKeyMDNTYTKCIIHFIN-UHFFFAOYSA-N
XLogP1.12
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane?
The IUPAC name of imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane (CID 12634435) is imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane.
What is the SMILES notation for imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane?
The canonical SMILES for imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane is [H]N=S(C)(=O)c1ccccn1.
What is the InChIKey of imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane?
The InChIKey is MDNTYTKCIIHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10(7,9)6-4-2-3-5-8-6/h2-5,7H,1H3.
What are the key properties of imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane?
imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane has a molecular weight of 156.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane is sourced from PubChem (CID 12634435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).