magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide

C30H36Br2MgS2 — CID 162045592

IUPACmagnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide
SMILESCC(C)(C)c1cc[c-]cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cs1.Cc1cc(Br)cs1.[Br-].[Mg+2]
InChIInChI=1S/C15H18S.C10H13.C5H5BrS.BrH.Mg/c1-11-9-13(10-16-11)12-5-7-14(8-6-12)15(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-4-2-5(6)3-7-4;;/h5-10H,1-4H3;5-8H,1-3H3;2-3H,1H3;1H;/q;-1;;;+2/p-1
InChIKeyFDRUMKQZISVXFR-UHFFFAOYSA-M
MW644.87 g/mol
LogP7.25
Rot. Bonds1

About magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide

magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide (PubChem CID 162045592) has the molecular formula C30H36Br2MgS2 and a molecular weight of 644.87 g/mol. Its IUPAC name is magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide.

Molecular Properties

Compound Namemagnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide
PubChem CID162045592
Molecular FormulaC30H36Br2MgS2
Molecular Weight644.87 g/mol
Exact Mass642.05
IUPAC Namemagnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide
SMILESCC(C)(C)c1cc[c-]cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cs1.Cc1cc(Br)cs1.[Br-].[Mg+2]
InChIInChI=1S/C15H18S.C10H13.C5H5BrS.BrH.Mg/c1-11-9-13(10-16-11)12-5-7-14(8-6-12)15(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-4-2-5(6)3-7-4;;/h5-10H,1-4H3;5-8H,1-3H3;2-3H,1H3;1H;/q;-1;;;+2/p-1
InChIKeyFDRUMKQZISVXFR-UHFFFAOYSA-M
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.87
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;benzene;bis(4-bromo-2-methylthiophene);bromide
CID 158576993
2-methyl-4-(4-methylphenyl)thiophene
CID 59707564
magnesium bis(tert-butylbenzene)
CID 15646340
tert-butylbenzene;ruthenium(1+)
CID 151873538
4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene
CID 174720153
tert-butylbenzene;zinc;hydrobromide
CID 87245923
tert-butylbenzene;dichlorozirconium
CID 174050820
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
2-tert-butyl-4-(4-chlorophenyl)thiophene
CID 58328117
bromozinc(1+);1-tert-butyl-4-phenylbenzene
CID 146002241
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide?
The IUPAC name of magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide (CID 162045592) is magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide.
What is the SMILES notation for magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide?
The canonical SMILES for magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide is CC(C)(C)c1cc[c-]cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cs1.Cc1cc(Br)cs1.[Br-].[Mg+2].
What is the InChIKey of magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide?
The InChIKey is FDRUMKQZISVXFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18S.C10H13.C5H5BrS.BrH.Mg/c1-11-9-13(10-16-11)12-5-7-14(8-6-12)15(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-4-2-5(6)3-7-4;;/h5-10H,1-4H3;5-8H,1-3H3;2-3H,1H3;1H;/q;-1;;;+2/p-1.
What are the key properties of magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide?
magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide has a molecular weight of 644.87 g/mol, XLogP of 7.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide is sourced from PubChem (CID 162045592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).