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Home > Other Heterocycles > 88370-42-7
88370-42-7 | 2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)pentyl]-4-methyl-
CAS No: 88370-42-7 Catalog No: AG004ITL MDL No:
Product Description
Catalog Number:
AG004ITL
Chemical Name:
2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)pentyl]-4-methyl-
CAS Number:
88370-42-7
Molecular Formula:
C17H27NO3S
Molecular Weight:
325.4662
IUPAC Name:
8-(C-butyl-N-ethoxycarbonimidoyl)-4-methyl-2-thiaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C17H27NO3S/c1-4-6-7-13(18-21-5-2)16-14(19)8-17(9-15(16)20)11-22-10-12(17)3/h12,16H,4-11H2,1-3H3
InChI Key:
MSCNKKNQYAPGRC-UHFFFAOYSA-N
SMILES:
CCCCC(=NOCC)C1C(=O)CC2(CC1=O)CSCC2C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.171g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.467g/mol
Monoisotopic Mass:
325.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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