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67869-13-0 | 2,3,5-Tribromo-4-methylthiophene
CAS No: 67869-13-0 Catalog No: AG003FF3 MDL No:MFCD00130086
Product Description
Catalog Number:
AG003FF3
Chemical Name:
2,3,5-Tribromo-4-methylthiophene
CAS Number:
67869-13-0
Molecular Formula:
C5H3Br3S
Molecular Weight:
334.8543
MDL Number:
MFCD00130086
IUPAC Name:
2,3,5-tribromo-4-methylthiophene
InChI:
InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChI Key:
DTLNXOZXOZCNMX-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1Br)C)Br
EC Number:
267-441-0
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.749g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.851g/mol
Monoisotopic Mass:
331.751g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| A protecting group-free synthesis of deazathiamine: a step toward inhibitor design. | Bioorganic & medicinal chemistry letters 20101115 |
| Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides. | Beilstein journal of organic chemistry 20070101 |
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