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

C7H10ClNS — CID 175793064

IUPAC5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=CC2=CNCCC2S1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4-5,7-8H,1,3H2;1H
InChIKeyVBXAGIMGBOTTPO-UHFFFAOYSA-N
MW175.68 g/mol
LogP1.91
Rot. Bonds

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

5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 175793064) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID175793064
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=CC2=CNCCC2S1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4-5,7-8H,1,3H2;1H
InChIKeyVBXAGIMGBOTTPO-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride (CID 175793064) is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride is C1=CC2=CNCCC2S1.Cl.
What is the InChIKey of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is VBXAGIMGBOTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4-5,7-8H,1,3H2;1H.
What are the key properties of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
5,6,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 175.68 g/mol, XLogP of 1.91, 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;hydrochloride is sourced from PubChem (CID 175793064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).