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Home > Other Heterocycles > 137180-69-9
137180-69-9 | 1-Oxaspiro[4.5]decane-4-carbothioamide, 2-oxo-
CAS No: 137180-69-9 Catalog No: AG0012X3 MDL No:
Product Description
Catalog Number:
AG0012X3
Chemical Name:
1-Oxaspiro[4.5]decane-4-carbothioamide, 2-oxo-
CAS Number:
137180-69-9
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
IUPAC Name:
2-oxo-1-oxaspiro[4.5]decane-4-carbothioamide
InChI:
InChI=1S/C10H15NO2S/c11-9(14)7-6-8(12)13-10(7)4-2-1-3-5-10/h7H,1-6H2,(H2,11,14)
InChI Key:
URJUCWQVUXTABF-UHFFFAOYSA-N
SMILES:
O=C1CC(C2(O1)CCCCC2)C(=S)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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