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53498-32-1 | 2-Isobutyl-4,5-dimethylthiazole
CAS No: 53498-32-1 Catalog No: AG003HH7 MDL No:MFCD00053136
Product Description
Catalog Number:
AG003HH7
Chemical Name:
2-Isobutyl-4,5-dimethylthiazole
CAS Number:
53498-32-1
Molecular Formula:
C9H15NS
Molecular Weight:
169.2871
MDL Number:
MFCD00053136
IUPAC Name:
4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
InChI:
InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
InChI Key:
NSVPHVLZAKJSGV-UHFFFAOYSA-N
SMILES:
CC(Cc1sc(c(n1)C)C)C
EC Number:
258-586-0
UNII:
5P82VD25ZI
FEMA Number:
4647
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.093g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.286g/mol
Monoisotopic Mass:
169.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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