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Home > Other Heterocycles > 2138122-28-6
2138122-28-6 | 3-(propan-2-yl)-7-thia-2-azaspiro[3.5]nonan-1-one
CAS No: 2138122-28-6 Catalog No: AG01ELPH MDL No:MFCD31559431
Product Description
Catalog Number:
AG01ELPH
Chemical Name:
3-(propan-2-yl)-7-thia-2-azaspiro[3.5]nonan-1-one
CAS Number:
2138122-28-6
Molecular Formula:
C10H17NOS
Molecular Weight:
199.3131
MDL Number:
MFCD31559431
IUPAC Name:
1-propan-2-yl-7-thia-2-azaspiro[3.5]nonan-3-one
InChI:
InChI=1S/C10H17NOS/c1-7(2)8-10(9(12)11-8)3-5-13-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChI Key:
UIMLSBMWCTZTMB-UHFFFAOYSA-N
SMILES:
CC(C1NC(=O)C21CCSCC2)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.312g/mol
Monoisotopic Mass:
199.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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