magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride

C10H14BrClMgO2S — CID 173122069

IUPACmagnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride
SMILESCOC(OC)c1cc(Cl)cc(Br)c1SC.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H12BrClO2S.Mg.2H/c1-13-10(14-2)7-4-6(12)5-8(11)9(7)15-3;;;/h4-5,10H,1-3H3;;;/q;+2;2*-1
InChIKeyNSSWEHPPMLENJB-UHFFFAOYSA-N
MW337.95 g/mol
LogP3.96
Rot. Bonds4

About magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride

magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride (PubChem CID 173122069) has the molecular formula C10H14BrClMgO2S and a molecular weight of 337.95 g/mol. Its IUPAC name is magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride.

Molecular Properties

Compound Namemagnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride
PubChem CID173122069
Molecular FormulaC10H14BrClMgO2S
Molecular Weight337.95 g/mol
Exact Mass335.94
IUPAC Namemagnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride
SMILESCOC(OC)c1cc(Cl)cc(Br)c1SC.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H12BrClO2S.Mg.2H/c1-13-10(14-2)7-4-6(12)5-8(11)9(7)15-3;;;/h4-5,10H,1-3H3;;;/q;+2;2*-1
InChIKeyNSSWEHPPMLENJB-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.95
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
1-bromo-5-chloro-3-[chloro-(4-methylsulfanylphenyl)methyl]-2-methoxybenzene
CID 79217991
1,3,5-trichloro-2-methylsulfanylbenzene
CID 86135617
2,4-dibromo-1-(dimethoxymethyl)benzene
CID 72706043
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
CID 11054906
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
CID 83224628
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734
2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
CID 130611692
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739

Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride?
The IUPAC name of magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride (CID 173122069) is magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride.
What is the SMILES notation for magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride?
The canonical SMILES for magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride is COC(OC)c1cc(Cl)cc(Br)c1SC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride?
The InChIKey is NSSWEHPPMLENJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2S.Mg.2H/c1-13-10(14-2)7-4-6(12)5-8(11)9(7)15-3;;;/h4-5,10H,1-3H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride?
magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride has a molecular weight of 337.95 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-5-chloro-3-(dimethoxymethyl)-2-methylsulfanylbenzene;hydride is sourced from PubChem (CID 173122069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).