Home Sulfos N-{2-[(2-furylmethyl)thio]ethyl}-3,5-dimethylisoxazole-4-sulfonamide

N-{2-[(2-furylmethyl)thio]ethyl}-3,5-dimethylisoxazole-4-sulfonamide

CAS No.:
680211-97-6
Catalog Number:
AG00IBS5
Molecular Formula:
C12H16N2O4S2
Molecular Weight:
316.3964
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Product Description
Catalog Number:
AG00IBS5
Chemical Name:
N-{2-[(2-furylmethyl)thio]ethyl}-3,5-dimethylisoxazole-4-sulfonamide
CAS Number:
680211-97-6
Molecular Formula:
C12H16N2O4S2
Molecular Weight:
316.3964
MDL Number:
MFCD01570599
IUPAC Name:
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
InChI:
InChI=1S/C12H16N2O4S2/c1-9-12(10(2)18-14-9)20(15,16)13-5-7-19-8-11-4-3-6-17-11/h3-4,6,13H,5,7-8H2,1-2H3
InChI Key:
QTIDPBHSFGYJQK-UHFFFAOYSA-N
SMILES:
Cc1onc(c1S(=O)(=O)NCCSCc1ccco1)C
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.055g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.39g/mol
Monoisotopic Mass:
316.055g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties