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

C7H9NS — CID 68615670

IUPAC2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
SMILESC1=NCC2CCSC2=C1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1,3,6H,2,4-5H2
InChIKeyOJYDKYKQCVPTFG-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.71
Rot. Bonds

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

2,3,3a,4-tetrahydrothieno[3,2-c]pyridine (PubChem CID 68615670) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
PubChem CID68615670
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
SMILESC1=NCC2CCSC2=C1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1,3,6H,2,4-5H2
InChIKeyOJYDKYKQCVPTFG-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine (CID 68615670) is 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine is C1=NCC2CCSC2=C1.
What is the InChIKey of 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is OJYDKYKQCVPTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h1,3,6H,2,4-5H2.
What are the key properties of 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
2,3,3a,4-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 68615670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).