2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide

C4H9BrN2S — CID 2777335

IUPAC2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CSC1=NCCN1
InChIInChI=1S/C4H8N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyUPISCLUJZRQPPJ-UHFFFAOYSA-N
MW197.10 g/mol
LogP0.89
Rot. Bonds

About 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide

2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 2777335) has the molecular formula C4H9BrN2S and a molecular weight of 197.10 g/mol. Its IUPAC name is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID2777335
Molecular FormulaC4H9BrN2S
Molecular Weight197.10 g/mol
Exact Mass195.97
IUPAC Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CSC1=NCCN1
InChIInChI=1S/C4H8N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyUPISCLUJZRQPPJ-UHFFFAOYSA-N
XLogP0.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (CID 2777335) is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is Br.CSC1=NCCN1.
What is the InChIKey of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is UPISCLUJZRQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H.
What are the key properties of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 197.10 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 2777335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).