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Home > Other Heterocycles > 88791-32-6
88791-32-6 | 6,10-Dithiaspiro[4.5]dec-2-en-1-one, 2-methyl-3-(phenylthio)-
CAS No: 88791-32-6 Catalog No: AG004CYB MDL No:
Product Description
Catalog Number:
AG004CYB
Chemical Name:
6,10-Dithiaspiro[4.5]dec-2-en-1-one, 2-methyl-3-(phenylthio)-
CAS Number:
88791-32-6
Molecular Formula:
C15H16OS3
Molecular Weight:
308.4819
IUPAC Name:
3-methyl-2-phenylsulfanyl-6,10-dithiaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C15H16OS3/c1-11-13(19-12-6-3-2-4-7-12)10-15(14(11)16)17-8-5-9-18-15/h2-4,6-7H,5,8-10H2,1H3
InChI Key:
IFZLYUWUUVCRAO-UHFFFAOYSA-N
SMILES:
CC1=C(CC2(C1=O)SCCCS2)Sc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.472g/mol
Monoisotopic Mass:
308.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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