22801-32-7

Name Penicillamine Impurity 1
CAS 22801-32-7
Molecular Formula C10H20N2O4S3
Molecular Weight 328.47
MOL File 22801-32-7.mol
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Chemical Properties

Melting point  170 - 173°C
Boiling point  518.9±60.0 °C(Predicted)
density  1.409±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Water (Slightly, Sonicated)
form  Solid
pka 1.73±0.12(Predicted)
color  White to Off-White
InChI InChI=1S/C10H20N2O4S3/c1-9(2,5(11)7(13)14)17-19-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey YXNSHRAZIFTXCR-WDSKDSINSA-N
SMILES S(C(C)(C)[C@H](C(O)=O)N)SSC(C)(C)[C@H](C(O)=O)N

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