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88918-47-2 | 2(3H)-Isoxazolecarboxamide, 5-[(butylthio)methyl]-N,N-dimethyl-3-oxo-
CAS No: 88918-47-2 Catalog No: AG0048T1 MDL No:
Product Description
Catalog Number:
AG0048T1
Chemical Name:
2(3H)-Isoxazolecarboxamide, 5-[(butylthio)methyl]-N,N-dimethyl-3-oxo-
CAS Number:
88918-47-2
Molecular Formula:
C11H18N2O3S
Molecular Weight:
258.3372
IUPAC Name:
5-(butylsulfanylmethyl)-N,N-dimethyl-3-oxo-1,2-oxazole-2-carboxamide
InChI:
InChI=1S/C11H18N2O3S/c1-4-5-6-17-8-9-7-10(14)13(16-9)11(15)12(2)3/h7H,4-6,8H2,1-3H3
InChI Key:
WFEXUOXRQMBSGE-UHFFFAOYSA-N
SMILES:
CCCCSCc1on(c(=O)c1)C(=O)N(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.336g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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