bromozinc(1+);methylsulfanylbenzene

C7H7BrSZn — CID 4229822

IUPACbromozinc(1+);methylsulfanylbenzene
SMILESCSc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H7S.BrH.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyWWCFBGMMPKBMMZ-UHFFFAOYSA-M
MW268.49 g/mol
LogP3.05
Rot. Bonds1

About bromozinc(1+);methylsulfanylbenzene

bromozinc(1+);methylsulfanylbenzene (PubChem CID 4229822) has the molecular formula C7H7BrSZn and a molecular weight of 268.49 g/mol. Its IUPAC name is bromozinc(1+);methylsulfanylbenzene.

Molecular Properties

Compound Namebromozinc(1+);methylsulfanylbenzene
PubChem CID4229822
Molecular FormulaC7H7BrSZn
Molecular Weight268.49 g/mol
Exact Mass265.87
IUPAC Namebromozinc(1+);methylsulfanylbenzene
SMILESCSc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H7S.BrH.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyWWCFBGMMPKBMMZ-UHFFFAOYSA-M
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.05
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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Related Compounds

bromozinc(1+);propan-2-ylsulfanylbenzene
CID 133144844
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
ethylsulfanylbenzene;zinc
CID 163508220
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
bromozinc(1+);difluoromethylbenzene
CID 133144668
1-(3-bromopropyl)-4-methylsulfanylbenzene
CID 53433990
1-methylsulfanyl-4-(trideuteriomethylsulfanyl)benzene
CID 10797313
dichlorozirconium;bis(4-methylsulfanylphenol)
CID 174464956

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methylsulfanylbenzene?
The IUPAC name of bromozinc(1+);methylsulfanylbenzene (CID 4229822) is bromozinc(1+);methylsulfanylbenzene.
What is the SMILES notation for bromozinc(1+);methylsulfanylbenzene?
The canonical SMILES for bromozinc(1+);methylsulfanylbenzene is CSc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methylsulfanylbenzene?
The InChIKey is WWCFBGMMPKBMMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7S.BrH.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methylsulfanylbenzene?
bromozinc(1+);methylsulfanylbenzene has a molecular weight of 268.49 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methylsulfanylbenzene is sourced from PubChem (CID 4229822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).