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

C7H7NS — CID 58999796

IUPAC3a,7a-dihydrothieno[3,2-b]pyridine
SMILESC1=CC2SC=CC2N=C1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-7H
InChIKeyCVIKOYGBBWXCEQ-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.62
Rot. Bonds

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

3a,7a-dihydrothieno[3,2-b]pyridine (PubChem CID 58999796) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 3a,7a-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3a,7a-dihydrothieno[3,2-b]pyridine
PubChem CID58999796
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name3a,7a-dihydrothieno[3,2-b]pyridine
SMILESC1=CC2SC=CC2N=C1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-7H
InChIKeyCVIKOYGBBWXCEQ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 3a,7a-dihydrothieno[3,2-b]pyridine (CID 58999796) is 3a,7a-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 3a,7a-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 3a,7a-dihydrothieno[3,2-b]pyridine is C1=CC2SC=CC2N=C1.
What is the InChIKey of 3a,7a-dihydrothieno[3,2-b]pyridine?
The InChIKey is CVIKOYGBBWXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h1-7H.
What are the key properties of 3a,7a-dihydrothieno[3,2-b]pyridine?
3a,7a-dihydrothieno[3,2-b]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 58999796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).