1,3,3a,4-tetrahydrothieno[3,4-c]pyridine

C7H9NS — CID 68616199

IUPAC1,3,3a,4-tetrahydrothieno[3,4-c]pyridine
SMILESC1=NCC2CSCC2=C1
InChIInChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h1-2,7H,3-5H2
InChIKeyMFMXOGATUSTFOL-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.36
Rot. Bonds

About 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine

1,3,3a,4-tetrahydrothieno[3,4-c]pyridine (PubChem CID 68616199) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine.

Molecular Properties

Compound Name1,3,3a,4-tetrahydrothieno[3,4-c]pyridine
PubChem CID68616199
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name1,3,3a,4-tetrahydrothieno[3,4-c]pyridine
SMILESC1=NCC2CSCC2=C1
InChIInChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h1-2,7H,3-5H2
InChIKeyMFMXOGATUSTFOL-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine?
The IUPAC name of 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine (CID 68616199) is 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine.
What is the SMILES notation for 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine?
The canonical SMILES for 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine is C1=NCC2CSCC2=C1.
What is the InChIKey of 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine?
The InChIKey is MFMXOGATUSTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h1-2,7H,3-5H2.
What are the key properties of 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine?
1,3,3a,4-tetrahydrothieno[3,4-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4-tetrahydrothieno[3,4-c]pyridine is sourced from PubChem (CID 68616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).