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Home > Other Heterocycles > 88559-57-3
88559-57-3 | 8-Oxa-1,4-dithiaspiro[4.5]decan-7-one, 9-methyl-
CAS No: 88559-57-3 Catalog No: AG004E2T MDL No:
Product Description
Catalog Number:
AG004E2T
Chemical Name:
8-Oxa-1,4-dithiaspiro[4.5]decan-7-one, 9-methyl-
CAS Number:
88559-57-3
Molecular Formula:
C8H12O2S2
Molecular Weight:
204.3097
IUPAC Name:
9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-one
InChI:
InChI=1S/C8H12O2S2/c1-6-4-8(5-7(9)10-6)11-2-3-12-8/h6H,2-5H2,1H3
InChI Key:
CRVVPRDLYJRFBW-UHFFFAOYSA-N
SMILES:
CC1OC(=O)CC2(C1)SCCS2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.302g/mol
Monoisotopic Mass:
204.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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