1H-imidazol-2-yl thiohypobromite

C3H3BrN2S — CID 87059212

IUPAC1H-imidazol-2-yl thiohypobromite
SMILESBrSc1ncc[nH]1
InChIInChI=1S/C3H3BrN2S/c4-7-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyGPQXURKEWRABIN-UHFFFAOYSA-N
MW179.04 g/mol
LogP1.81
Rot. Bonds1

About 1H-imidazol-2-yl thiohypobromite

1H-imidazol-2-yl thiohypobromite (PubChem CID 87059212) has the molecular formula C3H3BrN2S and a molecular weight of 179.04 g/mol. Its IUPAC name is 1H-imidazol-2-yl thiohypobromite.

Molecular Properties

Compound Name1H-imidazol-2-yl thiohypobromite
PubChem CID87059212
Molecular FormulaC3H3BrN2S
Molecular Weight179.04 g/mol
Exact Mass177.92
IUPAC Name1H-imidazol-2-yl thiohypobromite
SMILESBrSc1ncc[nH]1
InChIInChI=1S/C3H3BrN2S/c4-7-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyGPQXURKEWRABIN-UHFFFAOYSA-N
XLogP1.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.04
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl thiohypobromite?
The IUPAC name of 1H-imidazol-2-yl thiohypobromite (CID 87059212) is 1H-imidazol-2-yl thiohypobromite.
What is the SMILES notation for 1H-imidazol-2-yl thiohypobromite?
The canonical SMILES for 1H-imidazol-2-yl thiohypobromite is BrSc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl thiohypobromite?
The InChIKey is GPQXURKEWRABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S/c4-7-3-5-1-2-6-3/h1-2H,(H,5,6).
What are the key properties of 1H-imidazol-2-yl thiohypobromite?
1H-imidazol-2-yl thiohypobromite has a molecular weight of 179.04 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl thiohypobromite is sourced from PubChem (CID 87059212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).