3,5,6,7-tetrahydrothieno[3,4-c]pyridine

C7H9NS — CID 173292254

IUPAC3,5,6,7-tetrahydrothieno[3,4-c]pyridine
SMILESC1=C2CCNC=C2CS1
InChIInChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h3-4,8H,1-2,5H2
InChIKeyKZCSWSVKBUFNMD-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.49
Rot. Bonds

About 3,5,6,7-tetrahydrothieno[3,4-c]pyridine

3,5,6,7-tetrahydrothieno[3,4-c]pyridine (PubChem CID 173292254) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3,5,6,7-tetrahydrothieno[3,4-c]pyridine.

Molecular Properties

Compound Name3,5,6,7-tetrahydrothieno[3,4-c]pyridine
PubChem CID173292254
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3,5,6,7-tetrahydrothieno[3,4-c]pyridine
SMILESC1=C2CCNC=C2CS1
InChIInChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h3-4,8H,1-2,5H2
InChIKeyKZCSWSVKBUFNMD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydrothieno[3,4-c]pyridine?
The IUPAC name of 3,5,6,7-tetrahydrothieno[3,4-c]pyridine (CID 173292254) is 3,5,6,7-tetrahydrothieno[3,4-c]pyridine.
What is the SMILES notation for 3,5,6,7-tetrahydrothieno[3,4-c]pyridine?
The canonical SMILES for 3,5,6,7-tetrahydrothieno[3,4-c]pyridine is C1=C2CCNC=C2CS1.
What is the InChIKey of 3,5,6,7-tetrahydrothieno[3,4-c]pyridine?
The InChIKey is KZCSWSVKBUFNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-8-3-7-5-9-4-6(1)7/h3-4,8H,1-2,5H2.
What are the key properties of 3,5,6,7-tetrahydrothieno[3,4-c]pyridine?
3,5,6,7-tetrahydrothieno[3,4-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydrothieno[3,4-c]pyridine is sourced from PubChem (CID 173292254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).