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Home > Other Heterocycles > 5955-45-3
5955-45-3 | 3-(3-methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CAS No: 5955-45-3 Catalog No: AG00IAKH MDL No:MFCD22549244
Product Description
Catalog Number:
AG00IAKH
Chemical Name:
3-(3-methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CAS Number:
5955-45-3
Molecular Formula:
C15H18N2S
Molecular Weight:
258.3818
MDL Number:
MFCD22549244
IUPAC Name:
3-(3-methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
InChI:
InChI=1S/C15H18N2S/c1-11-6-5-7-12(10-11)13-14(18)17-15(16-13)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,17,18)
InChI Key:
VPKYFVAAASQJBD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1=NC2(NC1=S)CCCCC2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.383g/mol
Monoisotopic Mass:
258.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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