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

C7H9NS — CID 69404817

IUPAC3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2SC=CC2CN1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6-8H,5H2
InChIKeyXUIOPDGPQUTQKY-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.35
Rot. Bonds

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

3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine (PubChem CID 69404817) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine
PubChem CID69404817
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2SC=CC2CN1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6-8H,5H2
InChIKeyXUIOPDGPQUTQKY-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine (CID 69404817) is 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine is C1=CC2SC=CC2CN1.
What is the InChIKey of 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is XUIOPDGPQUTQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1-4,6-8H,5H2.
What are the key properties of 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine?
3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,7a-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 69404817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).