3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride

C7H10ClNS — CID 118898646

IUPAC3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=CC2CN=CCC2S1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2-4,6-7H,1,5H2;1H
InChIKeyBWGORXBOBWTTSG-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.13
Rot. Bonds

About 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride

3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 118898646) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID118898646
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=CC2CN=CCC2S1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2-4,6-7H,1,5H2;1H
InChIKeyBWGORXBOBWTTSG-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride (CID 118898646) is 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride is C1=CC2CN=CCC2S1.Cl.
What is the InChIKey of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is BWGORXBOBWTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2-4,6-7H,1,5H2;1H.
What are the key properties of 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 175.68 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 118898646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).