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Home > Other Heterocycles > 84212-20-4
84212-20-4 | 1,3-Diazaspiro[4.5]dec-3-ene, 4-[4-(methylthio)phenyl]-
CAS No: 84212-20-4 Catalog No: AG004ORI MDL No:
Product Description
Catalog Number:
AG004ORI
Chemical Name:
1,3-Diazaspiro[4.5]dec-3-ene, 4-[4-(methylthio)phenyl]-
CAS Number:
84212-20-4
Molecular Formula:
C15H20N2S
Molecular Weight:
260.3977
IUPAC Name:
4-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.5]dec-3-ene
InChI:
InChI=1S/C15H20N2S/c1-18-13-7-5-12(6-8-13)14-15(17-11-16-14)9-3-2-4-10-15/h5-8,17H,2-4,9-11H2,1H3
InChI Key:
QYGHNWALEBOMJE-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1=NCNC21CCCCC2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.399g/mol
Monoisotopic Mass:
260.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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