magnesium;3-methylbutylsulfanylbenzene;bromide

C11H15BrMgS — CID 91656515

IUPACmagnesium;3-methylbutylsulfanylbenzene;bromide
SMILESCC(C)CCSc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15S.BrH.Mg/c1-10(2)8-9-12-11-6-4-3-5-7-11;;/h3-4,6-7,10H,8-9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNGIBREORICEKTR-UHFFFAOYSA-M
MW283.52 g/mol
LogP0.25
Rot. Bonds4

About magnesium;3-methylbutylsulfanylbenzene;bromide

magnesium;3-methylbutylsulfanylbenzene;bromide (PubChem CID 91656515) has the molecular formula C11H15BrMgS and a molecular weight of 283.52 g/mol. Its IUPAC name is magnesium;3-methylbutylsulfanylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;3-methylbutylsulfanylbenzene;bromide
PubChem CID91656515
Molecular FormulaC11H15BrMgS
Molecular Weight283.52 g/mol
Exact Mass281.99
IUPAC Namemagnesium;3-methylbutylsulfanylbenzene;bromide
SMILESCC(C)CCSc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15S.BrH.Mg/c1-10(2)8-9-12-11-6-4-3-5-7-11;;/h3-4,6-7,10H,8-9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNGIBREORICEKTR-UHFFFAOYSA-M
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;2-methylpropylsulfanylbenzene;bromide
CID 91655295
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-chloro-2-fluoro-4-(3-methylbutylsulfanyl)benzene
CID 142501814
1-[2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750875
magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide
CID 91656857
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
CID 79228749
1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
2,2,2-trifluoro-1-[3-(3-methylbutylsulfanyl)phenyl]ethanone
CID 91655294
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]ethanone
CID 107750492
[2-(3-methylbutylsulfanyl)phenyl]methanol
CID 91658036

Frequently Asked Questions

What is the IUPAC name of magnesium;3-methylbutylsulfanylbenzene;bromide?
The IUPAC name of magnesium;3-methylbutylsulfanylbenzene;bromide (CID 91656515) is magnesium;3-methylbutylsulfanylbenzene;bromide.
What is the SMILES notation for magnesium;3-methylbutylsulfanylbenzene;bromide?
The canonical SMILES for magnesium;3-methylbutylsulfanylbenzene;bromide is CC(C)CCSc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methylbutylsulfanylbenzene;bromide?
The InChIKey is NGIBREORICEKTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15S.BrH.Mg/c1-10(2)8-9-12-11-6-4-3-5-7-11;;/h3-4,6-7,10H,8-9H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-methylbutylsulfanylbenzene;bromide?
magnesium;3-methylbutylsulfanylbenzene;bromide has a molecular weight of 283.52 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methylbutylsulfanylbenzene;bromide is sourced from PubChem (CID 91656515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).