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Home > Other Heterocycles > 87991-76-2
87991-76-2 | 1,6-Dithiaspiro[2.5]octan-2-one, 4,4,8,8-tetramethyl-
CAS No: 87991-76-2 Catalog No: AG004HQS MDL No:
Product Description
Catalog Number:
AG004HQS
Chemical Name:
1,6-Dithiaspiro[2.5]octan-2-one, 4,4,8,8-tetramethyl-
CAS Number:
87991-76-2
Molecular Formula:
C10H16OS2
Molecular Weight:
216.3634
IUPAC Name:
4,4,8,8-tetramethyl-1,6-dithiaspiro[2.5]octan-2-one
InChI:
InChI=1S/C10H16OS2/c1-8(2)5-12-6-9(3,4)10(8)7(11)13-10/h5-6H2,1-4H3
InChI Key:
CTMDPGJNUPFNOH-UHFFFAOYSA-N
SMILES:
O=C1SC21C(C)(C)CSCC2(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.357g/mol
Monoisotopic Mass:
216.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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