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88572-05-8 | Thiazole, 2-methyl-4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CAS No: 88572-05-8 Catalog No: AG004DM1 MDL No:
Product Description
Catalog Number:
AG004DM1
Chemical Name:
Thiazole, 2-methyl-4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CAS Number:
88572-05-8
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
IUPAC Name:
2-methyl-4-(2-propan-2-yloxan-4-yl)-1,3-thiazole
InChI:
InChI=1S/C12H19NOS/c1-8(2)12-6-10(4-5-14-12)11-7-15-9(3)13-11/h7-8,10,12H,4-6H2,1-3H3
InChI Key:
DXJRFYDWGHIVRB-UHFFFAOYSA-N
SMILES:
CC(C1OCCC(C1)c1csc(n1)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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