3a,6-dihydrothieno[3,2-b]pyridine

C7H7NS — CID 91369453

IUPAC3a,6-dihydrothieno[3,2-b]pyridine
SMILESC1=CC2N=CCC=C2S1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h2-6H,1H2
InChIKeyMODSKZVMBTXAKZ-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.97
Rot. Bonds

About 3a,6-dihydrothieno[3,2-b]pyridine

3a,6-dihydrothieno[3,2-b]pyridine (PubChem CID 91369453) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 3a,6-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3a,6-dihydrothieno[3,2-b]pyridine
PubChem CID91369453
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name3a,6-dihydrothieno[3,2-b]pyridine
SMILESC1=CC2N=CCC=C2S1
InChIInChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h2-6H,1H2
InChIKeyMODSKZVMBTXAKZ-UHFFFAOYSA-N
XLogP1.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4-Dihydrothieno[3,2-c]pyridine
CID 22446581
2-Methyl-3-methylsulfanyl-2,5-dihydropyridine
CID 57325034
3a,7a-Dihydrothieno[3,2-b]pyridine
CID 58999796
2,5,8,9-Tetrahydro-1,4-thiazonine
CID 67174515
3a,4-Dihydro-[1,3]thiazolo[4,5-c]pyridine
CID 67243434
3a,7a-Dihydro-[1,3]thiazolo[5,4-b]pyridine
CID 67718748
7-Chloro-3a,6-dihydrothieno[3,2-b]pyridine
CID 90884680
4,7a-Dihydrothiopyrano[4,3-b]pyrrole
CID 91024144
6-Methyl-3a,6-dihydrothieno[3,2-b]pyridine
CID 91042216

Frequently Asked Questions

What is the IUPAC name of 3a,6-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 3a,6-dihydrothieno[3,2-b]pyridine (CID 91369453) is 3a,6-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 3a,6-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 3a,6-dihydrothieno[3,2-b]pyridine is C1=CC2N=CCC=C2S1.
What is the InChIKey of 3a,6-dihydrothieno[3,2-b]pyridine?
The InChIKey is MODSKZVMBTXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-7-6(8-4-1)3-5-9-7/h2-6H,1H2.
What are the key properties of 3a,6-dihydrothieno[3,2-b]pyridine?
3a,6-dihydrothieno[3,2-b]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 91369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).