Benthiavalicarb
Product Code
TRC-B635830-50MG
CAS Number
Product Format
Neat
Molecular Formula
C15 H18 F N3 O3 S
Molecular Weight
339.39
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
Benthiavalicarb (free acid)
CAS Number
413615-35-7
Molecular Formula
C15 H18 F N3 O3 S
Molecular Weight
339.39
Accurate Mass
339.1053
SMILES
CC(C)[C@H](NC(=O)O)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
InChI
InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1
IUPAC
[(2S)-1-[[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
Product Data
Country of Origin
CANADA
Product Format
Neat