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Home > Other Heterocycles > 1221791-99-6
1221791-99-6 | 8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CAS No: 1221791-99-6 Catalog No: AG00IRU0 MDL No:MFCD16140371
Product Description
Catalog Number:
AG00IRU0
Chemical Name:
8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CAS Number:
1221791-99-6
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
MDL Number:
MFCD16140371
IUPAC Name:
8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
InChI:
InChI=1S/C14H17NOS/c16-13-10-17-14(15-13)8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChI Key:
ZZULYAVBOQSSIA-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1)CCC(CC2)c1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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