bromozinc(1+);propan-2-ylsulfanylbenzene

C9H11BrSZn — CID 133144844

IUPACbromozinc(1+);propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C9H11S.BrH.Zn/c1-8(2)10-9-6-4-3-5-7-9;;/h4-8H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLENFPRHRODYIGG-UHFFFAOYSA-M
MW296.55 g/mol
LogP3.83
Rot. Bonds2

About bromozinc(1+);propan-2-ylsulfanylbenzene

bromozinc(1+);propan-2-ylsulfanylbenzene (PubChem CID 133144844) has the molecular formula C9H11BrSZn and a molecular weight of 296.55 g/mol. Its IUPAC name is bromozinc(1+);propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Namebromozinc(1+);propan-2-ylsulfanylbenzene
PubChem CID133144844
Molecular FormulaC9H11BrSZn
Molecular Weight296.55 g/mol
Exact Mass293.91
IUPAC Namebromozinc(1+);propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C9H11S.BrH.Zn/c1-8(2)10-9-6-4-3-5-7-9;;/h4-8H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLENFPRHRODYIGG-UHFFFAOYSA-M
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);propan-2-ylsulfanylbenzene?
The IUPAC name of bromozinc(1+);propan-2-ylsulfanylbenzene (CID 133144844) is bromozinc(1+);propan-2-ylsulfanylbenzene.
What is the SMILES notation for bromozinc(1+);propan-2-ylsulfanylbenzene?
The canonical SMILES for bromozinc(1+);propan-2-ylsulfanylbenzene is CC(C)Sc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);propan-2-ylsulfanylbenzene?
The InChIKey is LENFPRHRODYIGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11S.BrH.Zn/c1-8(2)10-9-6-4-3-5-7-9;;/h4-8H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);propan-2-ylsulfanylbenzene?
bromozinc(1+);propan-2-ylsulfanylbenzene has a molecular weight of 296.55 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);propan-2-ylsulfanylbenzene is sourced from PubChem (CID 133144844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).