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Home > Other Heterocycles > 85976-47-2
85976-47-2 | 1-Thia-4-azaspiro[4.5]decan-2-one, 3-thioxo-
CAS No: 85976-47-2 Catalog No: AG004QBI MDL No:
Product Description
Catalog Number:
AG004QBI
Chemical Name:
1-Thia-4-azaspiro[4.5]decan-2-one, 3-thioxo-
CAS Number:
85976-47-2
Molecular Formula:
C8H11NOS2
Molecular Weight:
201.3090
IUPAC Name:
3-sulfanylidene-1-thia-4-azaspiro[4.5]decan-2-one
InChI:
InChI=1S/C8H11NOS2/c10-7-6(11)9-8(12-7)4-2-1-3-5-8/h1-5H2,(H,9,11)
InChI Key:
CTFHHWLMGKVPJA-UHFFFAOYSA-N
SMILES:
S=C1NC2(SC1=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:
201.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.302g/mol
Monoisotopic Mass:
201.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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