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76572-48-0 | 2-BUTYL-4,5-DIMETHYLTHIAZOLE
CAS No: 76572-48-0 Catalog No: AG005WYT MDL No:
Product Description
Catalog Number:
AG005WYT
Chemical Name:
2-BUTYL-4,5-DIMETHYLTHIAZOLE
CAS Number:
76572-48-0
Molecular Formula:
C9H15NS
Molecular Weight:
169.2871
IUPAC Name:
2-butyl-4,5-dimethyl-1,3-thiazole
InChI:
InChI=1S/C9H15NS/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
InChI Key:
OHJFDYDPHXVQBC-UHFFFAOYSA-N
SMILES:
CCCCc1sc(c(n1)C)C
Properties
Complexity:
116
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:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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