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61323-24-8 | 2-Isobutyl-4-methylthiazole
CAS No: 61323-24-8 Catalog No: AG003B8K MDL No:MFCD00053138
Product Description
Catalog Number:
AG003B8K
Chemical Name:
2-Isobutyl-4-methylthiazole
CAS Number:
61323-24-8
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
MDL Number:
MFCD00053138
IUPAC Name:
4-methyl-2-(2-methylpropyl)-1,3-thiazole
InChI:
InChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
InChI Key:
JBUCYVMFLWLDIO-UHFFFAOYSA-N
SMILES:
CC(Cc1scc(n1)C)C
EC Number:
262-709-3
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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