3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene

C12H12Br2S2 — CID 102835721

IUPAC3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
SMILESCCc1ccc(C(Br)c2cc(Br)c(C)s2)s1
InChIInChI=1S/C12H12Br2S2/c1-3-8-4-5-10(16-8)12(14)11-6-9(13)7(2)15-11/h4-6,12H,3H2,1-2H3
InChIKeyXSPWRTCDELNMIY-UHFFFAOYSA-N
MW380.17 g/mol
LogP5.93
Rot. Bonds3

About 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene

3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene (PubChem CID 102835721) has the molecular formula C12H12Br2S2 and a molecular weight of 380.17 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
PubChem CID102835721
Molecular FormulaC12H12Br2S2
Molecular Weight380.17 g/mol
Exact Mass377.87
IUPAC Name3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
SMILESCCc1ccc(C(Br)c2cc(Br)c(C)s2)s1
InChIInChI=1S/C12H12Br2S2/c1-3-8-4-5-10(16-8)12(14)11-6-9(13)7(2)15-11/h4-6,12H,3H2,1-2H3
InChIKeyXSPWRTCDELNMIY-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.17
LogP ≤ 55.93
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

5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
2-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylthiophene
CID 63438170
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene
CID 130763345
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-5-ethylthiophene
CID 106880074
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene (CID 102835721) is 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene is CCc1ccc(C(Br)c2cc(Br)c(C)s2)s1.
What is the InChIKey of 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene?
The InChIKey is XSPWRTCDELNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2S2/c1-3-8-4-5-10(16-8)12(14)11-6-9(13)7(2)15-11/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene has a molecular weight of 380.17 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).