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Home > Other Heterocycles > 1221792-40-0
1221792-40-0 | 8-phenyl-1-thia-4-azaspiro[4.5]decane-8-carbonitrile hydrochloride
CAS No: 1221792-40-0 Catalog No: AG00IZBP MDL No:MFCD16140372
Product Description
Catalog Number:
AG00IZBP
Chemical Name:
8-phenyl-1-thia-4-azaspiro[4.5]decane-8-carbonitrile hydrochloride
CAS Number:
1221792-40-0
Molecular Formula:
C15H19ClN2S
Molecular Weight:
294.8428
MDL Number:
MFCD16140372
IUPAC Name:
8-phenyl-1-thia-4-azaspiro[4.5]decane-8-carbonitrile;hydrochloride
InChI:
InChI=1S/C15H18N2S.ClH/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15;/h1-5,17H,6-11H2;1H
InChI Key:
YKHGWWYGAWNYJO-UHFFFAOYSA-N
SMILES:
N#CC1(CCC2(CC1)NCCS2)c1ccccc1.Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.841g/mol
Monoisotopic Mass:
294.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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