2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE (CAS: 182004-65-5) - Chemical Structure and Molecular Formula
2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE (CAS: 182004-65-5) - Chemical Structure Thumbnail

2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE

Catalog No:   FT-0643751

CAS No:   182004-65-5

  • Chemical Name:  2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE
  • Molecular Formula:  C17H21N3O6S2
  • Molecular Weight:  427.5
  • InChI Key:  WGIKEBHIKKWJLG-UHFFFAOYSA-N
  • 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)
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: KB-R7943 mesylate
Flash_Point: 277.1ºC
Melting_Point: N/A
FW: 427.495
Density: N/A
CAS: 182004-65-5
Bolling_Point: 534.6ºC at 760mmHg
MF: C17H21N3O6S2
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 193 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :479 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
LogP: 5.25100
Flash_Point: 277.1ºC
FW: 427.495
PSA: 192.97000
MF: C17H21N3O6S2
Bolling_Point: 534.6ºC at 760mmHg
Vapor_Pressure: 1.67E-11mmHg at 25°C
Exact_Mass: 427.087189

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