magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide

C24H16Br4MgS6 — CID 159825502

IUPACmagnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide
SMILESBrc1ccc(Br)s1.Brc1cccs1.[Br-].[Mg+2].[c-]1cccs1.c1csc(-c2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C12H8S3.C4H2Br2S.C4H3BrS.C4H3S.BrH.Mg/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;5-3-1-2-4(6)7-3;5-4-2-1-3-6-4;1-2-4-5-3-1;;/h1-8H;1-2H;1-3H;1-3H;1H;/q;;;-1;;+2/p-1
InChIKeyPSZXMWWYDXSQLF-UHFFFAOYSA-M
MW840.71 g/mol
LogP9.16
Rot. Bonds2

About magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide

magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide (PubChem CID 159825502) has the molecular formula C24H16Br4MgS6 and a molecular weight of 840.71 g/mol. Its IUPAC name is magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide
PubChem CID159825502
Molecular FormulaC24H16Br4MgS6
Molecular Weight840.71 g/mol
Exact Mass835.62
IUPAC Namemagnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide
SMILESBrc1ccc(Br)s1.Brc1cccs1.[Br-].[Mg+2].[c-]1cccs1.c1csc(-c2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C12H8S3.C4H2Br2S.C4H3BrS.C4H3S.BrH.Mg/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;5-3-1-2-4(6)7-3;5-4-2-1-3-6-4;1-2-4-5-3-1;;/h1-8H;1-2H;1-3H;1-3H;1H;/q;;;-1;;+2/p-1
InChIKeyPSZXMWWYDXSQLF-UHFFFAOYSA-M
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.71
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromothiophene;2,5-dibromothiophene
CID 158267440
magnesium;2-bromo-5-octylthiophene;2-octyl-5-thiophen-2-ylthiophene;oxolane;2H-thiophen-2-ide;bromide
CID 161126763
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
magnesium;5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine;bis(5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine);methane;2H-thiophen-2-ide;bromide
CID 158440326
2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
CID 11081700
2-bromothiophene;molecular nitrogen
CID 91328293
CID 158126656
CID 158126656
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
acetic acid;2-bromothiophene
CID 175516450
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671

Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide?
The IUPAC name of magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide (CID 159825502) is magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide.
What is the SMILES notation for magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide?
The canonical SMILES for magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide is Brc1ccc(Br)s1.Brc1cccs1.[Br-].[Mg+2].[c-]1cccs1.c1csc(-c2ccc(-c3cccs3)s2)c1.
What is the InChIKey of magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide?
The InChIKey is PSZXMWWYDXSQLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8S3.C4H2Br2S.C4H3BrS.C4H3S.BrH.Mg/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;5-3-1-2-4(6)7-3;5-4-2-1-3-6-4;1-2-4-5-3-1;;/h1-8H;1-2H;1-3H;1-3H;1H;/q;;;-1;;+2/p-1.
What are the key properties of magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide?
magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide has a molecular weight of 840.71 g/mol, XLogP of 9.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide is sourced from PubChem (CID 159825502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).