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Home > Other Heterocycles > 88791-33-7
88791-33-7 | 6,10-Dithiaspiro[4.5]dec-2-en-1-one, 2-methyl-3-(methylthio)-
CAS No: 88791-33-7 Catalog No: AG004AU4 MDL No:
Product Description
Catalog Number:
AG004AU4
Chemical Name:
6,10-Dithiaspiro[4.5]dec-2-en-1-one, 2-methyl-3-(methylthio)-
CAS Number:
88791-33-7
Molecular Formula:
C10H14OS3
Molecular Weight:
246.4126
IUPAC Name:
3-methyl-2-methylsulfanyl-6,10-dithiaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C10H14OS3/c1-7-8(12-2)6-10(9(7)11)13-4-3-5-14-10/h3-6H2,1-2H3
InChI Key:
PRWJHAGZRBLCRL-UHFFFAOYSA-N
SMILES:
CSC1=C(C)C(=O)C2(C1)SCCCS2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.401g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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