5,6,7,7a-tetrahydrothieno[3,2-c]pyridine

C7H9NS — CID 140555339

IUPAC5,6,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2=CNCCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-5,7-8H,1,3H2
InChIKeyPZOMGJILOCMIBC-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.49
Rot. Bonds

About 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine

5,6,7,7a-tetrahydrothieno[3,2-c]pyridine (PubChem CID 140555339) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine
PubChem CID140555339
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2=CNCCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-5,7-8H,1,3H2
InChIKeyPZOMGJILOCMIBC-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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Related Compounds

3,3a,4,5-Tetrahydrothieno[3,4-c]pyridine
CID 21659744
3a,4,5,7a-Tetrahydrothieno[3,2-c]pyridine
CID 69404817
5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine
CID 129158397
2,4,5,6-Tetrahydrothieno[2,3-c]pyridine
CID 141191333
3,5,6,7-Tetrahydrothieno[3,4-c]pyridine
CID 173292254
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 175793064
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride
CID 71433169
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine 1-oxide
CID 71433170

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine (CID 140555339) is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine is C1=CC2=CNCCC2S1.
What is the InChIKey of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is PZOMGJILOCMIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-5,7-8H,1,3H2.
What are the key properties of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
5,6,7,7a-tetrahydrothieno[3,2-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 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 140555339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).