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65894-83-9 | 2-Isobutyl-4,5-dimethyl-2,5-dihydrothiazole(mixture of isomers)
CAS No: 65894-83-9 Catalog No: AG003KIC MDL No:MFCD01680822
Product Description
Catalog Number:
AG003KIC
Chemical Name:
2-Isobutyl-4,5-dimethyl-2,5-dihydrothiazole(mixture of isomers)
CAS Number:
65894-83-9
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD01680822
IUPAC Name:
4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChI Key:
FDOISHJOXPONIV-UHFFFAOYSA-N
SMILES:
CC(CC1N=C(C(S1)C)C)C
EC Number:
265-969-6
FEMA Number:
3621
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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