bromocopper;dibenzylsulfanium

C14H15BrCuS+ — CID 4542716

IUPACbromocopper;dibenzylsulfanium
SMILES[Cu]Br.c1ccc(C[SH+]Cc2ccccc2)cc1
InChIInChI=1S/C14H14S.BrH.Cu/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-10H,11-12H2;1H;/q;;+1
InChIKeyVMYWTHZXMVQRAY-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.04
Rot. Bonds4

About bromocopper;dibenzylsulfanium

bromocopper;dibenzylsulfanium (PubChem CID 4542716) has the molecular formula C14H15BrCuS+ and a molecular weight of 358.79 g/mol. Its IUPAC name is bromocopper;dibenzylsulfanium.

Molecular Properties

Compound Namebromocopper;dibenzylsulfanium
PubChem CID4542716
Molecular FormulaC14H15BrCuS+
Molecular Weight358.79 g/mol
Exact Mass356.94
IUPAC Namebromocopper;dibenzylsulfanium
SMILES[Cu]Br.c1ccc(C[SH+]Cc2ccccc2)cc1
InChIInChI=1S/C14H14S.BrH.Cu/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-10H,11-12H2;1H;/q;;+1
InChIKeyVMYWTHZXMVQRAY-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 139821861
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Frequently Asked Questions

What is the IUPAC name of bromocopper;dibenzylsulfanium?
The IUPAC name of bromocopper;dibenzylsulfanium (CID 4542716) is bromocopper;dibenzylsulfanium.
What is the SMILES notation for bromocopper;dibenzylsulfanium?
The canonical SMILES for bromocopper;dibenzylsulfanium is [Cu]Br.c1ccc(C[SH+]Cc2ccccc2)cc1.
What is the InChIKey of bromocopper;dibenzylsulfanium?
The InChIKey is VMYWTHZXMVQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.BrH.Cu/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-10H,11-12H2;1H;/q;;+1.
What are the key properties of bromocopper;dibenzylsulfanium?
bromocopper;dibenzylsulfanium has a molecular weight of 358.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromocopper;dibenzylsulfanium is sourced from PubChem (CID 4542716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).