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Home > Other Heterocycles > 100383-29-7
100383-29-7 | 6-Thia-8-azaspiro[4.5]decane-7,9-dione
CAS No: 100383-29-7 Catalog No: AG0001TX MDL No:MFCD18822654
Product Description
Catalog Number:
AG0001TX
Chemical Name:
6-Thia-8-azaspiro[4.5]decane-7,9-dione
CAS Number:
100383-29-7
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD18822654
IUPAC Name:
6-thia-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C8H11NO2S/c10-6-5-8(3-1-2-4-8)12-7(11)9-6/h1-5H2,(H,9,10,11)
InChI Key:
GNLUYUDNYXNDHJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)SC2(C1)CCCC2
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:
1.1
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