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831225-18-4 | Thiazole, 4-methyl-2-[(2R,3R,4S)-4-methyl-1-oxaspiro[2.5]oct-2-yl]-
CAS No: 831225-18-4 Catalog No: AG008JO9 MDL No:
Product Description
Catalog Number:
AG008JO9
Chemical Name:
Thiazole, 4-methyl-2-[(2R,3R,4S)-4-methyl-1-oxaspiro[2.5]oct-2-yl]-
CAS Number:
831225-18-4
Molecular Formula:
C12H17NOS
Molecular Weight:
223.3345
IUPAC Name:
4-methyl-2-[(2R,3R,4S)-4-methyl-1-oxaspiro[2.5]octan-2-yl]-1,3-thiazole
InChI:
InChI=1S/C12H17NOS/c1-8-5-3-4-6-12(8)10(14-12)11-13-9(2)7-15-11/h7-8,10H,3-6H2,1-2H3/t8-,10-,12+/m0/s1
InChI Key:
BDVZZGIGUMXTCM-PTOFAABTSA-N
SMILES:
Cc1csc(n1)[C@@H]1O[C@]21CCCC[C@@H]2C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
223.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.334g/mol
Monoisotopic Mass:
223.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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