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2-[2-[4-(4-Nitrobenzyloxy)phenyl]ethyl]isothiourea mesylate Structure

2-[2-[4-(4-Nitrobenzyloxy)phenyl]ethyl]isothiourea mesylate

  • Product Name2-[2-[4-(4-Nitrobenzyloxy)phenyl]ethyl]isothiourea mesylate
  • CAS182004-65-5
  • CBNumberCB6422033
  • MFC17H21N3O6S2
  • MW427.49
  • MDL NumberMFCD00952138
  • MOL File182004-65-5.mol

Chemical Properties

Melting point: >214°C (dec.)
storage temp.  Inert atmosphere,2-8°C
solubility  Soluble in DMSO (up to 50 mg/ml).
form  White crystalline solid
color  Tan
Water Solubility  water: 4mg/mL
DMSO: 40mg/mL
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChI InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChIKey WGIKEBHIKKWJLG-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C.C(C1C=CC(N(=O)=O)=CC=1)OC1C=CC(CCSC(N)=N)=CC=1

Safety

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H400
Precautionary statements  P273-P391-P501
WGK Germany  WGK 3
HS Code  2930.90.2900
Storage Class 11 - Combustible Solids

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