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65894-82-8 | 2-(sec-Butyl)-4,5-dimethyl-2,5-dihydrothiazole
CAS No: 65894-82-8 Catalog No: AG003F4K MDL No:MFCD01680858
Product Description
Catalog Number:
AG003F4K
Chemical Name:
2-(sec-Butyl)-4,5-dimethyl-2,5-dihydrothiazole
CAS Number:
65894-82-8
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD01680858
IUPAC Name:
2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChI Key:
FLBOQJFNAYJWIA-UHFFFAOYSA-N
SMILES:
CCC(C1N=C(C(S1)C)C)C
EC Number:
265-968-0
FEMA Number:
3619
Properties
Complexity:
165
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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