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

C11H9Br3S2 — CID 80534116

IUPAC2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
SMILESCCc1ccsc1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br3S2/c1-2-6-3-4-15-10(6)9(13)8-5-7(12)11(14)16-8/h3-5,9H,2H2,1H3
InChIKeyOXANJINJFPGAPS-UHFFFAOYSA-N
MW445.04 g/mol
LogP6.38
Rot. Bonds3

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

2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene (PubChem CID 80534116) has the molecular formula C11H9Br3S2 and a molecular weight of 445.04 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
PubChem CID80534116
Molecular FormulaC11H9Br3S2
Molecular Weight445.04 g/mol
Exact Mass441.77
IUPAC Name2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
SMILESCCc1ccsc1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br3S2/c1-2-6-3-4-15-10(6)9(13)8-5-7(12)11(14)16-8/h3-5,9H,2H2,1H3
InChIKeyOXANJINJFPGAPS-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.04
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
N-[(4,5-dibromothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 80534072
2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
CID 79975387
2-[bromo-(3-ethylthiophen-2-yl)methyl]-3,5-dimethylthiophene
CID 81157909
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064
2-[bromo-(2,4,6-trifluorophenyl)methyl]-3-ethylthiophene
CID 79975273
2-[bromo-(4-fluoro-3,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79976512
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
N-[(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 102827672
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
2-[bromo-(3-bromo-5-chloro-2-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975170
N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80536325

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene (CID 80534116) is 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene is CCc1ccsc1C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene?
The InChIKey is OXANJINJFPGAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br3S2/c1-2-6-3-4-15-10(6)9(13)8-5-7(12)11(14)16-8/h3-5,9H,2H2,1H3.
What are the key properties of 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene?
2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene has a molecular weight of 445.04 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 80534116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).