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Home > Other Heterocycles > 864685-24-5
864685-24-5 | 1,4-Dithia-7-azaspiro[4.4]nonane,7-(phenylmethyl)-
CAS No: 864685-24-5 Catalog No: AG004MS9 MDL No:
Product Description
Catalog Number:
AG004MS9
Chemical Name:
1,4-Dithia-7-azaspiro[4.4]nonane,7-(phenylmethyl)-
CAS Number:
864685-24-5
Molecular Formula:
C13H17NS2
Molecular Weight:
251.4108
IUPAC Name:
7-benzyl-1,4-dithia-7-azaspiro[4.4]nonane
InChI:
InChI=1S/C13H17NS2/c1-2-4-12(5-3-1)10-14-7-6-13(11-14)15-8-9-16-13/h1-5H,6-11H2
InChI Key:
OMWKGGYQUXZXEM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC2(C1)SCCS2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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