5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene

C13H11Br2ClS — CID 102764936

IUPAC5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(Br)ccc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H11Br2ClS/c1-7-5-9(14)3-4-10(7)12(15)11-6-8(2)13(16)17-11/h3-6,12H,1-2H3
InChIKeyKAMIYBBIDILZNK-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.27
Rot. Bonds2

About 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764936) has the molecular formula C13H11Br2ClS and a molecular weight of 394.56 g/mol. Its IUPAC name is 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764936
Molecular FormulaC13H11Br2ClS
Molecular Weight394.56 g/mol
Exact Mass391.86
IUPAC Name5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(Br)ccc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H11Br2ClS/c1-7-5-9(14)3-4-10(7)12(15)11-6-8(2)13(16)17-11/h3-6,12H,1-2H3
InChIKeyKAMIYBBIDILZNK-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
2-[bromo-(4-bromo-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 81158840
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene (CID 102764936) is 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene is Cc1cc(Br)ccc1C(Br)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is KAMIYBBIDILZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClS/c1-7-5-9(14)3-4-10(7)12(15)11-6-8(2)13(16)17-11/h3-6,12H,1-2H3.
What are the key properties of 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 394.56 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).