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107507-50-6 | 4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine
CAS No: 107507-50-6 Catalog No: AG01A8UP MDL No:MFCD09891552
Product Description
Catalog Number:
AG01A8UP
Chemical Name:
4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine
CAS Number:
107507-50-6
Molecular Formula:
C12H20N2S
Molecular Weight:
224.3656
MDL Number:
MFCD09891552
IUPAC Name:
4-tert-butyl-2-piperidin-4-yl-1,3-thiazole
InChI:
InChI=1S/C12H20N2S/c1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9/h8-9,13H,4-7H2,1-3H3
InChI Key:
JQYOZZMLTAZELM-UHFFFAOYSA-N
SMILES:
CC(c1csc(n1)C1CCNCC1)(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.135g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.366g/mol
Monoisotopic Mass:
224.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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