2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene

C12H8Br4S — CID 107983607

IUPAC2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
SMILESCc1cccc(C(Br)c2cc(Br)c(Br)s2)c1Br
InChIInChI=1S/C12H8Br4S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3
InChIKeyNZOPWXKWZVARRD-UHFFFAOYSA-N
MW503.88 g/mol
LogP6.83
Rot. Bonds2

About 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene

2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene (PubChem CID 107983607) has the molecular formula C12H8Br4S and a molecular weight of 503.88 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
PubChem CID107983607
Molecular FormulaC12H8Br4S
Molecular Weight503.88 g/mol
Exact Mass499.71
IUPAC Name2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
SMILESCc1cccc(C(Br)c2cc(Br)c(Br)s2)c1Br
InChIInChI=1S/C12H8Br4S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3
InChIKeyNZOPWXKWZVARRD-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-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983493
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
CID 80534470
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
2,3-dibromo-5-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 80538722
3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107983519
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
2,3-dibromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 80538746
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
2,3-dibromo-5-[bromo-(3-propan-2-yloxyphenyl)methyl]thiophene
CID 80534567
2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
CID 81432825

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene (CID 107983607) is 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene is Cc1cccc(C(Br)c2cc(Br)c(Br)s2)c1Br.
What is the InChIKey of 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene?
The InChIKey is NZOPWXKWZVARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br4S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3.
What are the key properties of 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene?
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene 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 2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene is sourced from PubChem (CID 107983607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).