4,7-dihydrothieno[2,3-b]pyridine 1-oxide

C7H7NOS — CID 140975134

IUPAC4,7-dihydrothieno[2,3-b]pyridine 1-oxide
SMILESO=S1C=CC2=C1NC=CC2
InChIInChI=1S/C7H7NOS/c9-10-5-3-6-2-1-4-8-7(6)10/h1,3-5,8H,2H2
InChIKeyNRJPXXYMQWJKLG-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.98
Rot. Bonds

About 4,7-dihydrothieno[2,3-b]pyridine 1-oxide

4,7-dihydrothieno[2,3-b]pyridine 1-oxide (PubChem CID 140975134) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 4,7-dihydrothieno[2,3-b]pyridine 1-oxide.

Molecular Properties

Compound Name4,7-dihydrothieno[2,3-b]pyridine 1-oxide
PubChem CID140975134
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name4,7-dihydrothieno[2,3-b]pyridine 1-oxide
SMILESO=S1C=CC2=C1NC=CC2
InChIInChI=1S/C7H7NOS/c9-10-5-3-6-2-1-4-8-7(6)10/h1,3-5,8H,2H2
InChIKeyNRJPXXYMQWJKLG-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
5H-thieno[3,2-c]pyridine 1-oxide
CID 123746872
6H-thieno[2,3-c]pyridine 1-oxide
CID 123884360

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydrothieno[2,3-b]pyridine 1-oxide?
The IUPAC name of 4,7-dihydrothieno[2,3-b]pyridine 1-oxide (CID 140975134) is 4,7-dihydrothieno[2,3-b]pyridine 1-oxide.
What is the SMILES notation for 4,7-dihydrothieno[2,3-b]pyridine 1-oxide?
The canonical SMILES for 4,7-dihydrothieno[2,3-b]pyridine 1-oxide is O=S1C=CC2=C1NC=CC2.
What is the InChIKey of 4,7-dihydrothieno[2,3-b]pyridine 1-oxide?
The InChIKey is NRJPXXYMQWJKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-10-5-3-6-2-1-4-8-7(6)10/h1,3-5,8H,2H2.
What are the key properties of 4,7-dihydrothieno[2,3-b]pyridine 1-oxide?
4,7-dihydrothieno[2,3-b]pyridine 1-oxide has a molecular weight of 153.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydrothieno[2,3-b]pyridine 1-oxide is sourced from PubChem (CID 140975134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).