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88051-80-3 | 1-Oxa-3-azaspiro[4.5]decan-4-one, 3-amino-2-thioxo-
CAS No: 88051-80-3 Catalog No: AG004II3 MDL No:
Product Description
Catalog Number:
AG004II3
Chemical Name:
1-Oxa-3-azaspiro[4.5]decan-4-one, 3-amino-2-thioxo-
CAS Number:
88051-80-3
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
IUPAC Name:
3-amino-2-sulfanylidene-1-oxa-3-azaspiro[4.5]decan-4-one
InChI:
InChI=1S/C8H12N2O2S/c9-10-6(11)8(12-7(10)13)4-2-1-3-5-8/h1-5,9H2
InChI Key:
QBEJWYDHKFVYQR-UHFFFAOYSA-N
SMILES:
NN1C(=S)OC2(C1=O)CCCCC2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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