bromozinc(1+);penta-2,4-dienylsulfanylbenzene

C11H11BrSZn — CID 71341795

IUPACbromozinc(1+);penta-2,4-dienylsulfanylbenzene
SMILESC=CC=C[CH-]Sc1ccccc1.[Zn+]Br
InChIInChI=1S/C11H11S.BrH.Zn/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2-10H,1H2;1H;/q-1;;+2/p-1
InChIKeyRFDCZPWVPPFCCT-UHFFFAOYSA-M
MW320.57 g/mol
LogP4.53
Rot. Bonds4

About bromozinc(1+);penta-2,4-dienylsulfanylbenzene

bromozinc(1+);penta-2,4-dienylsulfanylbenzene (PubChem CID 71341795) has the molecular formula C11H11BrSZn and a molecular weight of 320.57 g/mol. Its IUPAC name is bromozinc(1+);penta-2,4-dienylsulfanylbenzene.

Molecular Properties

Compound Namebromozinc(1+);penta-2,4-dienylsulfanylbenzene
PubChem CID71341795
Molecular FormulaC11H11BrSZn
Molecular Weight320.57 g/mol
Exact Mass317.91
IUPAC Namebromozinc(1+);penta-2,4-dienylsulfanylbenzene
SMILESC=CC=C[CH-]Sc1ccccc1.[Zn+]Br
InChIInChI=1S/C11H11S.BrH.Zn/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2-10H,1H2;1H;/q-1;;+2/p-1
InChIKeyRFDCZPWVPPFCCT-UHFFFAOYSA-M
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.53
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
[(1E,3Z)-hexa-1,3,5-trienyl]sulfanylbenzene
CID 163422709
S-phenyl N-[(1Z)-buta-1,3-dienyl]carbamothioate
CID 98538894
CID 135081547
CID 135081547
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945
[(3E,6Z)-4-ethenylnona-3,6,8-trien-2-yl]sulfanylbenzene
CID 173468385
(3Z)-hexa-1,3,5-triene;methyl(diphenyl)sulfanium
CID 144703772
phenyl N-methylmethanimidothioate
CID 143977879
buta-1,3-dienyl(triphenyl)phosphanium
CID 2752732

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);penta-2,4-dienylsulfanylbenzene?
The IUPAC name of bromozinc(1+);penta-2,4-dienylsulfanylbenzene (CID 71341795) is bromozinc(1+);penta-2,4-dienylsulfanylbenzene.
What is the SMILES notation for bromozinc(1+);penta-2,4-dienylsulfanylbenzene?
The canonical SMILES for bromozinc(1+);penta-2,4-dienylsulfanylbenzene is C=CC=C[CH-]Sc1ccccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);penta-2,4-dienylsulfanylbenzene?
The InChIKey is RFDCZPWVPPFCCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11S.BrH.Zn/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2-10H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);penta-2,4-dienylsulfanylbenzene?
bromozinc(1+);penta-2,4-dienylsulfanylbenzene has a molecular weight of 320.57 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);penta-2,4-dienylsulfanylbenzene is sourced from PubChem (CID 71341795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).