bromozinc(1+);hexylsulfanylbenzene

C12H17BrSZn — CID 146001940

IUPACbromozinc(1+);hexylsulfanylbenzene
SMILESCCCCCCSc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C12H17S.BrH.Zn/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h6-7,9-10H,2-4,8,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFEZYJOYHWOHUOT-UHFFFAOYSA-M
MW338.63 g/mol
LogP5.00
Rot. Bonds6

About bromozinc(1+);hexylsulfanylbenzene

bromozinc(1+);hexylsulfanylbenzene (PubChem CID 146001940) has the molecular formula C12H17BrSZn and a molecular weight of 338.63 g/mol. Its IUPAC name is bromozinc(1+);hexylsulfanylbenzene.

Molecular Properties

Compound Namebromozinc(1+);hexylsulfanylbenzene
PubChem CID146001940
Molecular FormulaC12H17BrSZn
Molecular Weight338.63 g/mol
Exact Mass335.95
IUPAC Namebromozinc(1+);hexylsulfanylbenzene
SMILESCCCCCCSc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C12H17S.BrH.Zn/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h6-7,9-10H,2-4,8,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFEZYJOYHWOHUOT-UHFFFAOYSA-M
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octadecylsulfanylpyridine
CID 177449547
1-hexylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387626
1-ethylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387966
nickel;octylsulfanylbenzene
CID 157277722
1-dodecylsulfanyl-4-methylsulfanylbenzene
CID 146260586
1-methyl-4-(4-octylsulfanylphenyl)benzene
CID 70387614
4-pentylsulfanylbenzenethiol
CID 69215525
ethylsulfanylbenzene;zinc
CID 163508220
1-hexylsulfanyl-4-[4-(4-hexylsulfanylphenyl)buta-1,3-diynyl]benzene
CID 177499514
1-octyl-4-[6-(1-octylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium
CID 10700446
1-hexylsulfanyl-4-nitrobenzene
CID 13010697
1-dodecylsulfanyl-4-nitrobenzene
CID 13010698

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);hexylsulfanylbenzene?
The IUPAC name of bromozinc(1+);hexylsulfanylbenzene (CID 146001940) is bromozinc(1+);hexylsulfanylbenzene.
What is the SMILES notation for bromozinc(1+);hexylsulfanylbenzene?
The canonical SMILES for bromozinc(1+);hexylsulfanylbenzene is CCCCCCSc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);hexylsulfanylbenzene?
The InChIKey is FEZYJOYHWOHUOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17S.BrH.Zn/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h6-7,9-10H,2-4,8,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);hexylsulfanylbenzene?
bromozinc(1+);hexylsulfanylbenzene has a molecular weight of 338.63 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);hexylsulfanylbenzene is sourced from PubChem (CID 146001940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).