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Home > Other Heterocycles > 85976-48-3
85976-48-3 | 1-Thia-4-azaspiro[4.5]decane-2,3-dione
CAS No: 85976-48-3 Catalog No: AG004VO5 MDL No:
Product Description
Catalog Number:
AG004VO5
Chemical Name:
1-Thia-4-azaspiro[4.5]decane-2,3-dione
CAS Number:
85976-48-3
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
1-thia-4-azaspiro[4.5]decane-2,3-dione
InChI:
InChI=1S/C8H11NO2S/c10-6-7(11)12-8(9-6)4-2-1-3-5-8/h1-5H2,(H,9,10)
InChI Key:
DTETVADTZNQVAA-UHFFFAOYSA-N
SMILES:
O=C1SC2(NC1=O)CCCCC2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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