3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine

C7H9NS — CID 91484382

IUPAC3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine
SMILESC1=CC2CCC=NC2S1
InChIInChI=1S/C7H9NS/c1-2-6-3-5-9-7(6)8-4-1/h3-7H,1-2H2
InChIKeyCSJGMESAVXRQDV-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.05
Rot. Bonds

About 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine

3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine (PubChem CID 91484382) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine
PubChem CID91484382
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine
SMILESC1=CC2CCC=NC2S1
InChIInChI=1S/C7H9NS/c1-2-6-3-5-9-7(6)8-4-1/h3-7H,1-2H2
InChIKeyCSJGMESAVXRQDV-UHFFFAOYSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine?
The IUPAC name of 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine (CID 91484382) is 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine.
What is the SMILES notation for 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine?
The canonical SMILES for 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine is C1=CC2CCC=NC2S1.
What is the InChIKey of 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine?
The InChIKey is CSJGMESAVXRQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-6-3-5-9-7(6)8-4-1/h3-7H,1-2H2.
What are the key properties of 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine?
3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine has a molecular weight of 139.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,7a-tetrahydrothieno[2,3-b]pyridine is sourced from PubChem (CID 91484382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).