4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride

C7H10ClNS — CID 73012682

IUPAC4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)NCCC2
InChIInChI=1S/C7H9NS.ClH/c1-2-6-3-5-9-7(6)8-4-1;/h3,5,8H,1-2,4H2;1H
InChIKeyKWXAPENBBJXXBE-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.53
Rot. Bonds

About 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride

4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride (PubChem CID 73012682) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride
PubChem CID73012682
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)NCCC2
InChIInChI=1S/C7H9NS.ClH/c1-2-6-3-5-9-7(6)8-4-1;/h3,5,8H,1-2,4H2;1H
InChIKeyKWXAPENBBJXXBE-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride (CID 73012682) is 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride is Cl.c1cc2c(s1)NCCC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride?
The InChIKey is KWXAPENBBJXXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.ClH/c1-2-6-3-5-9-7(6)8-4-1;/h3,5,8H,1-2,4H2;1H.
What are the key properties of 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride?
4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride has a molecular weight of 175.68 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 73012682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).