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88918-31-4 | 2(3H)-Isoxazolecarboxamide, 5-[(ethylthio)methyl]-N,N-dimethyl-3-oxo-
CAS No: 88918-31-4 Catalog No: AG00488T MDL No:
Product Description
Catalog Number:
AG00488T
Chemical Name:
2(3H)-Isoxazolecarboxamide, 5-[(ethylthio)methyl]-N,N-dimethyl-3-oxo-
CAS Number:
88918-31-4
Molecular Formula:
C9H14N2O3S
Molecular Weight:
230.2841
IUPAC Name:
5-(ethylsulfanylmethyl)-N,N-dimethyl-3-oxo-1,2-oxazole-2-carboxamide
InChI:
InChI=1S/C9H14N2O3S/c1-4-15-6-7-5-8(12)11(14-7)9(13)10(2)3/h5H,4,6H2,1-3H3
InChI Key:
OXWWLVHOKJVOQX-UHFFFAOYSA-N
SMILES:
CCSCc1on(c(=O)c1)C(=O)N(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.282g/mol
Monoisotopic Mass:
230.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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