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Home > Other Heterocycles > 88295-98-1
88295-98-1 | 2-Thia-6-azabicyclo[2.2.0]hexan-5-one, 4,6-dimethyl-1-phenyl-
CAS No: 88295-98-1 Catalog No: AG00499Y MDL No:
Product Description
Catalog Number:
AG00499Y
Chemical Name:
2-Thia-6-azabicyclo[2.2.0]hexan-5-one, 4,6-dimethyl-1-phenyl-
CAS Number:
88295-98-1
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
4,6-dimethyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
InChI:
InChI=1S/C12H13NOS/c1-11-8-15-12(11,13(2)10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
YWQDELYBLRRYMB-UHFFFAOYSA-N
SMILES:
CN1C(=O)C2(C1(SC2)c1ccccc1)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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