3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene

C11H10Br2S2 — CID 63797512

IUPAC3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2sccc2Br)c(C)s1
InChIInChI=1S/C11H10Br2S2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,1-2H3
InChIKeyUFIWEQOVUNRJJZ-UHFFFAOYSA-N
MW366.14 g/mol
LogP5.67
Rot. Bonds2

About 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene

3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene (PubChem CID 63797512) has the molecular formula C11H10Br2S2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
PubChem CID63797512
Molecular FormulaC11H10Br2S2
Molecular Weight366.14 g/mol
Exact Mass363.86
IUPAC Name3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2sccc2Br)c(C)s1
InChIInChI=1S/C11H10Br2S2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,1-2H3
InChIKeyUFIWEQOVUNRJJZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.14
LogP ≤ 55.67
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

3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
CID 61098752
3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
CID 107958748
3-bromo-2-[bromo-(2-methylsulfanylphenyl)methyl]thiophene
CID 80537224
3-bromo-2-[bromo-(2-iodophenyl)methyl]thiophene
CID 80537168
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene (CID 63797512) is 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene is Cc1cc(C(Br)c2sccc2Br)c(C)s1.
What is the InChIKey of 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene?
The InChIKey is UFIWEQOVUNRJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,1-2H3.
What are the key properties of 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene?
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene has a molecular weight of 366.14 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 63797512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).