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201992-75-8 | 2,4-Di(1-adamantyl)thiazole
CAS No: 201992-75-8 Catalog No: AG01EUHL MDL No:
Product Description
Catalog Number:
AG01EUHL
Chemical Name:
2,4-Di(1-adamantyl)thiazole
CAS Number:
201992-75-8
Molecular Formula:
C23H31NS
Molecular Weight:
353.5639
IUPAC Name:
2,4-bis(1-adamantyl)-1,3-thiazole
InChI:
InChI=1S/C23H31NS/c1-14-2-16-3-15(1)8-22(7-14,9-16)20-13-25-21(24-20)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19H,1-12H2
InChI Key:
SIZXQCBNNFYZNH-UHFFFAOYSA-N
SMILES:
C1C2CC3CC1CC(C2)(C3)c1scc(n1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.218g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.568g/mol
Monoisotopic Mass:
353.218g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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