Identification Chemical Properties Spectrum Detail Supplier

2641451-73-0

Name 2-Thiazolepropanoic acid, 4-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (αS)-
CAS 2641451-73-0
Molecular Formula C12H17BrN2O4S
MDL Number MFCD34179557
Molecular Weight 365.24
MOL File 2641451-73-0.mol
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Chemical Properties

Boiling point  459.9±45.0 °C(Predicted)
density  1.444±0.06 g/cm3(Predicted)
storage temp.  2-8°C, stored under nitrogen
pka 10.57±0.46(Predicted)
Appearance White to off-white Solid
Optical Rotation 37°(C=0.01 g/ml, CHCL3, 20°C, 589nm)
InChI InChI=1/C12H17BrN2O4S/c1-12(2,3)19-11(17)14-7(10(16)18-4)5-9-15-8(13)6-20-9/h6-7H,5H2,1-4H3,(H,14,17)/t7-/s3
InChIKey XOHKCICGHIWNNO-KPOCXSGKNA-N
SMILES C(C1SC=C(Br)N=1)[C@@H](C(=O)OC)NC(=O)OC(C)(C)C |&1:7,r|

Spectrum Detail

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