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158554-98-4 | Thiazole, 4-ethyl-4,5-dihydro-2-phenyl-, (4R)-
CAS No: 158554-98-4 Catalog No: AG001QA7 MDL No:
Product Description
Catalog Number:
AG001QA7
Chemical Name:
Thiazole, 4-ethyl-4,5-dihydro-2-phenyl-, (4R)-
CAS Number:
158554-98-4
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
IUPAC Name:
(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C11H13NS/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChI Key:
OKZCWOZVCNOBBD-SNVBAGLBSA-N
SMILES:
CC[C@@H]1CSC(=N1)c1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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