3a,7a-dihydrothieno[2,3-b]pyridine

C7H7NS — CID 58315327

IUPAC3a,7a-dihydrothieno[2,3-b]pyridine
SMILESC1=CC2C=CSC2N=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-7H
InChIKeyGJMJVKQOCMALFA-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.83
Rot. Bonds

About 3a,7a-dihydrothieno[2,3-b]pyridine

3a,7a-dihydrothieno[2,3-b]pyridine (PubChem CID 58315327) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 3a,7a-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name3a,7a-dihydrothieno[2,3-b]pyridine
PubChem CID58315327
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name3a,7a-dihydrothieno[2,3-b]pyridine
SMILESC1=CC2C=CSC2N=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-7H
InChIKeyGJMJVKQOCMALFA-UHFFFAOYSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 3a,7a-dihydrothieno[2,3-b]pyridine (CID 58315327) is 3a,7a-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 3a,7a-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 3a,7a-dihydrothieno[2,3-b]pyridine is C1=CC2C=CSC2N=C1.
What is the InChIKey of 3a,7a-dihydrothieno[2,3-b]pyridine?
The InChIKey is GJMJVKQOCMALFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-7H.
What are the key properties of 3a,7a-dihydrothieno[2,3-b]pyridine?
3a,7a-dihydrothieno[2,3-b]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 58315327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).