2-methylsulfanyl-1H-imidazole;hydrochloride

C4H7ClN2S — CID 18694136

IUPAC2-methylsulfanyl-1H-imidazole;hydrochloride
SMILESCSc1ncc[nH]1.Cl
InChIInChI=1S/C4H6N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyOMURDARWDQHLLY-UHFFFAOYSA-N
MW150.63 g/mol
LogP1.55
Rot. Bonds1

About 2-methylsulfanyl-1H-imidazole;hydrochloride

2-methylsulfanyl-1H-imidazole;hydrochloride (PubChem CID 18694136) has the molecular formula C4H7ClN2S and a molecular weight of 150.63 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-1H-imidazole;hydrochloride
PubChem CID18694136
Molecular FormulaC4H7ClN2S
Molecular Weight150.63 g/mol
Exact Mass150.00
IUPAC Name2-methylsulfanyl-1H-imidazole;hydrochloride
SMILESCSc1ncc[nH]1.Cl
InChIInChI=1S/C4H6N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyOMURDARWDQHLLY-UHFFFAOYSA-N
XLogP1.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.63
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-imidazole;hydrochloride?
The IUPAC name of 2-methylsulfanyl-1H-imidazole;hydrochloride (CID 18694136) is 2-methylsulfanyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-1H-imidazole;hydrochloride is CSc1ncc[nH]1.Cl.
What is the InChIKey of 2-methylsulfanyl-1H-imidazole;hydrochloride?
The InChIKey is OMURDARWDQHLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H.
What are the key properties of 2-methylsulfanyl-1H-imidazole;hydrochloride?
2-methylsulfanyl-1H-imidazole;hydrochloride has a molecular weight of 150.63 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 18694136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).