2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene

C12H8Br4S — CID 79997261

IUPAC2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2cc(Br)ccc2Br)sc1Br
InChIInChI=1S/C12H8Br4S/c1-6-4-10(17-12(6)16)11(15)8-5-7(13)2-3-9(8)14/h2-5,11H,1H3
InChIKeyKOXSSHHDVLMDMP-UHFFFAOYSA-N
MW503.88 g/mol
LogP6.83
Rot. Bonds2

About 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene

2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene (PubChem CID 79997261) has the molecular formula C12H8Br4S and a molecular weight of 503.88 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
PubChem CID79997261
Molecular FormulaC12H8Br4S
Molecular Weight503.88 g/mol
Exact Mass499.71
IUPAC Name2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2cc(Br)ccc2Br)sc1Br
InChIInChI=1S/C12H8Br4S/c1-6-4-10(17-12(6)16)11(15)8-5-7(13)2-3-9(8)14/h2-5,11H,1H3
InChIKeyKOXSSHHDVLMDMP-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.88
LogP ≤ 56.83
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

2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
CID 79996492
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
2-bromo-5-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-methylthiophene
CID 79996585
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
CID 81472982
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene (CID 79997261) is 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene is Cc1cc(C(Br)c2cc(Br)ccc2Br)sc1Br.
What is the InChIKey of 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene?
The InChIKey is KOXSSHHDVLMDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br4S/c1-6-4-10(17-12(6)16)11(15)8-5-7(13)2-3-9(8)14/h2-5,11H,1H3.
What are the key properties of 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene?
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene has a molecular weight of 503.88 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 79997261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).