3a,4-dihydrothieno[2,3-c]pyridine

C7H7NS — CID 166882822

IUPAC3a,4-dihydrothieno[2,3-c]pyridine
SMILESC1=CC2CC=NC=C2S1
InChIInChI=1S/C7H7NS/c1-3-8-5-7-6(1)2-4-9-7/h2-6H,1H2
InChIKeyBVKUKVSFFQEWDZ-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.18
Rot. Bonds

About 3a,4-dihydrothieno[2,3-c]pyridine

3a,4-dihydrothieno[2,3-c]pyridine (PubChem CID 166882822) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 3a,4-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3a,4-dihydrothieno[2,3-c]pyridine
PubChem CID166882822
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name3a,4-dihydrothieno[2,3-c]pyridine
SMILESC1=CC2CC=NC=C2S1
InChIInChI=1S/C7H7NS/c1-3-8-5-7-6(1)2-4-9-7/h2-6H,1H2
InChIKeyBVKUKVSFFQEWDZ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 3a,4-dihydrothieno[2,3-c]pyridine (CID 166882822) is 3a,4-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3a,4-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 3a,4-dihydrothieno[2,3-c]pyridine is C1=CC2CC=NC=C2S1.
What is the InChIKey of 3a,4-dihydrothieno[2,3-c]pyridine?
The InChIKey is BVKUKVSFFQEWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-3-8-5-7-6(1)2-4-9-7/h2-6H,1H2.
What are the key properties of 3a,4-dihydrothieno[2,3-c]pyridine?
3a,4-dihydrothieno[2,3-c]pyridine has a molecular weight of 137.21 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 166882822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).