dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane

C11H20Br2N2S — CID 139124264

IUPACdibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane
SMILESCc1c(C)n(C(C)C)c(=S(Br)Br)n1C(C)C
InChIInChI=1S/C11H20Br2N2S/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)16(12)13/h7-8H,1-6H3
InChIKeyLFSWNZNJXCQXGF-UHFFFAOYSA-N
MW372.17 g/mol
LogP5.49
Rot. Bonds2

About dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane

dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane (PubChem CID 139124264) has the molecular formula C11H20Br2N2S and a molecular weight of 372.17 g/mol. Its IUPAC name is dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane.

Molecular Properties

Compound Namedibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane
PubChem CID139124264
Molecular FormulaC11H20Br2N2S
Molecular Weight372.17 g/mol
Exact Mass369.97
IUPAC Namedibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane
SMILESCc1c(C)n(C(C)C)c(=S(Br)Br)n1C(C)C
InChIInChI=1S/C11H20Br2N2S/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)16(12)13/h7-8H,1-6H3
InChIKeyLFSWNZNJXCQXGF-UHFFFAOYSA-N
XLogP5.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.17
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
CID 11052977
1,3-Diethyl-4,5-dimethylimidazole-2-thione
CID 11116724
1,3-Bis(2,2-dimethylpropyl)-4,5-dimethylimidazole-2-thione
CID 13946883
4,5-Dimethyl-1,3-bis(2-methylpropyl)imidazole-2-thione
CID 13946884
[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]iron(1+) bromide
CID 87399175
[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]iron;hydrobromide
CID 87399176
Bromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]iron
CID 145790013
[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]methanedithiolate
CID 102318316

Frequently Asked Questions

What is the IUPAC name of dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane?
The IUPAC name of dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane (CID 139124264) is dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane.
What is the SMILES notation for dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane?
The canonical SMILES for dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane is Cc1c(C)n(C(C)C)c(=S(Br)Br)n1C(C)C.
What is the InChIKey of dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane?
The InChIKey is LFSWNZNJXCQXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Br2N2S/c1-7(2)14-9(5)10(6)15(8(3)4)11(14)16(12)13/h7-8H,1-6H3.
What are the key properties of dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane?
dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane has a molecular weight of 372.17 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-λ4-sulfane is sourced from PubChem (CID 139124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).