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

C8H12ClNS — CID 155977909

IUPAC3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCc1csc2c1CNCC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-6-5-10-8-2-3-9-4-7(6)8;/h5,9H,2-4H2,1H3;1H
InChIKeyGTNMLMWKSJJUNT-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.12
Rot. Bonds

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

3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 155977909) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID155977909
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCc1csc2c1CNCC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-6-5-10-8-2-3-9-4-7(6)8;/h5,9H,2-4H2,1H3;1H
InChIKeyGTNMLMWKSJJUNT-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (CID 155977909) is 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is Cc1csc2c1CNCC2.Cl.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is GTNMLMWKSJJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-6-5-10-8-2-3-9-4-7(6)8;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 155977909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).