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Home > Other Heterocycles > 82243-10-5
82243-10-5 | 4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-
CAS No: 82243-10-5 Catalog No: AG00500J MDL No:
Product Description
Catalog Number:
AG00500J
Chemical Name:
4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-
CAS Number:
82243-10-5
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
IUPAC Name:
2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
InChI:
InChI=1S/C13H16N2S/c1-3-7-11(8-4-1)12-14-15-13(16-12)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChI Key:
HFKPMQDIWZJRJD-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)NN=C(S2)c1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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