3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium

C7H10NS+ — CID 173078742

IUPAC3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium
SMILESC1=CC2C[NH+]=CCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2-4,6-7H,1,5H2/p+1
InChIKeyBKXXIFGIGPIXDF-UHFFFAOYSA-O
MW140.23 g/mol
LogP-0.21
Rot. Bonds

About 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium

3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium (PubChem CID 173078742) has the molecular formula C7H10NS+ and a molecular weight of 140.23 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium
PubChem CID173078742
Molecular FormulaC7H10NS+
Molecular Weight140.23 g/mol
Exact Mass140.05
IUPAC Name3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium
SMILESC1=CC2C[NH+]=CCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2-4,6-7H,1,5H2/p+1
InChIKeyBKXXIFGIGPIXDF-UHFFFAOYSA-O
XLogP-0.21
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium?
The IUPAC name of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium (CID 173078742) is 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium.
What is the SMILES notation for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium?
The canonical SMILES for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium is C1=CC2C[NH+]=CCC2S1.
What is the InChIKey of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium?
The InChIKey is BKXXIFGIGPIXDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2-4,6-7H,1,5H2/p+1.
What are the key properties of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium?
3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium has a molecular weight of 140.23 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridin-5-ium is sourced from PubChem (CID 173078742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).