3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran

C12H12Br2OS — CID 65278348

IUPAC3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
SMILESCc1cc(C(Br)c2sc(C)cc2Br)c(C)o1
InChIInChI=1S/C12H12Br2OS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,1-3H3
InChIKeyUZRURFUQFPPBKP-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.51
Rot. Bonds2

About 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran

3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran (PubChem CID 65278348) has the molecular formula C12H12Br2OS and a molecular weight of 364.10 g/mol. Its IUPAC name is 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
PubChem CID65278348
Molecular FormulaC12H12Br2OS
Molecular Weight364.10 g/mol
Exact Mass361.90
IUPAC Name3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
SMILESCc1cc(C(Br)c2sc(C)cc2Br)c(C)o1
InChIInChI=1S/C12H12Br2OS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,1-3H3
InChIKeyUZRURFUQFPPBKP-UHFFFAOYSA-N
XLogP5.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.51
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-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
3-bromo-2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-methylthiophene
CID 65278876
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
CID 65283596
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
3-bromo-2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-methylthiophene
CID 65283694
3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
CID 83149091
5-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278298
4-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]oxane
CID 65278822
2-[bromo-(4-bromo-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 81158840

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The IUPAC name of 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran (CID 65278348) is 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran is Cc1cc(C(Br)c2sc(C)cc2Br)c(C)o1.
What is the InChIKey of 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The InChIKey is UZRURFUQFPPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2OS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,1-3H3.
What are the key properties of 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran has a molecular weight of 364.10 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran is sourced from PubChem (CID 65278348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).