ethane;thieno[3,4-b]pyridine

C9H11NS — CID 144655287

IUPACethane;thieno[3,4-b]pyridine
SMILESCC.c1cnc2cscc2c1
InChIInChI=1S/C7H5NS.C2H6/c1-2-6-4-9-5-7(6)8-3-1;1-2/h1-5H;1-2H3
InChIKeyQDKHOTYFFDLTBO-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.32
Rot. Bonds

About ethane;thieno[3,4-b]pyridine

ethane;thieno[3,4-b]pyridine (PubChem CID 144655287) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is ethane;thieno[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;thieno[3,4-b]pyridine
PubChem CID144655287
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Nameethane;thieno[3,4-b]pyridine
SMILESCC.c1cnc2cscc2c1
InChIInChI=1S/C7H5NS.C2H6/c1-2-6-4-9-5-7(6)8-3-1;1-2/h1-5H;1-2H3
InChIKeyQDKHOTYFFDLTBO-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;thieno[3,4-b]pyridine?
The IUPAC name of ethane;thieno[3,4-b]pyridine (CID 144655287) is ethane;thieno[3,4-b]pyridine.
What is the SMILES notation for ethane;thieno[3,4-b]pyridine?
The canonical SMILES for ethane;thieno[3,4-b]pyridine is CC.c1cnc2cscc2c1.
What is the InChIKey of ethane;thieno[3,4-b]pyridine?
The InChIKey is QDKHOTYFFDLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C2H6/c1-2-6-4-9-5-7(6)8-3-1;1-2/h1-5H;1-2H3.
What are the key properties of ethane;thieno[3,4-b]pyridine?
ethane;thieno[3,4-b]pyridine has a molecular weight of 165.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thieno[3,4-b]pyridine is sourced from PubChem (CID 144655287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).