2-methylsulfanylpyridin-4-amine;hydrochloride

C6H9ClN2S — CID 134690934

IUPAC2-methylsulfanylpyridin-4-amine;hydrochloride
SMILESCSc1cc(N)ccn1.Cl
InChIInChI=1S/C6H8N2S.ClH/c1-9-6-4-5(7)2-3-8-6;/h2-4H,1H3,(H2,7,8);1H
InChIKeyZODKCPSADKPBOG-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.81
Rot. Bonds1

About 2-methylsulfanylpyridin-4-amine;hydrochloride

2-methylsulfanylpyridin-4-amine;hydrochloride (PubChem CID 134690934) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-methylsulfanylpyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanylpyridin-4-amine;hydrochloride
PubChem CID134690934
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name2-methylsulfanylpyridin-4-amine;hydrochloride
SMILESCSc1cc(N)ccn1.Cl
InChIInChI=1S/C6H8N2S.ClH/c1-9-6-4-5(7)2-3-8-6;/h2-4H,1H3,(H2,7,8);1H
InChIKeyZODKCPSADKPBOG-UHFFFAOYSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridin-4-amine;hydrochloride?
The IUPAC name of 2-methylsulfanylpyridin-4-amine;hydrochloride (CID 134690934) is 2-methylsulfanylpyridin-4-amine;hydrochloride.
What is the SMILES notation for 2-methylsulfanylpyridin-4-amine;hydrochloride?
The canonical SMILES for 2-methylsulfanylpyridin-4-amine;hydrochloride is CSc1cc(N)ccn1.Cl.
What is the InChIKey of 2-methylsulfanylpyridin-4-amine;hydrochloride?
The InChIKey is ZODKCPSADKPBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.ClH/c1-9-6-4-5(7)2-3-8-6;/h2-4H,1H3,(H2,7,8);1H.
What are the key properties of 2-methylsulfanylpyridin-4-amine;hydrochloride?
2-methylsulfanylpyridin-4-amine;hydrochloride has a molecular weight of 176.67 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyridin-4-amine;hydrochloride is sourced from PubChem (CID 134690934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).