1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride

C13H12ClNS — CID 12861805

IUPAC1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(sc3ccccc32)c(C)n1.Cl
InChIInChI=1S/C13H11NS.ClH/c1-8-7-11-10-5-3-4-6-12(10)15-13(11)9(2)14-8;/h3-7H,1-2H3;1H
InChIKeyCHQALSZTYXWPCF-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.49
Rot. Bonds

About 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride

1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride (PubChem CID 12861805) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
PubChem CID12861805
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(sc3ccccc32)c(C)n1.Cl
InChIInChI=1S/C13H11NS.ClH/c1-8-7-11-10-5-3-4-6-12(10)15-13(11)9(2)14-8;/h3-7H,1-2H3;1H
InChIKeyCHQALSZTYXWPCF-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride (CID 12861805) is 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride is Cc1cc2c(sc3ccccc32)c(C)n1.Cl.
What is the InChIKey of 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The InChIKey is CHQALSZTYXWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS.ClH/c1-8-7-11-10-5-3-4-6-12(10)15-13(11)9(2)14-8;/h3-7H,1-2H3;1H.
What are the key properties of 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride has a molecular weight of 249.77 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 12861805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).