2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate
methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Also Known As: KB-R7943 mesylate|KB-R7943|2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE|Carbamimidothioic acid|KB-R7943mesylate|KB-R7943 (mesylate)|compound No. 7943|KB-R7943 mesylate?|KBR7943|KB-R 7943|GTPL4232|No 7943|KBR 7943|KBR-7943|KB R7943|KB-7943|182004-64-4 (free base)|HB1133|IN1281|s4643|CS-0848|4CA-0691
CAS: 182004-64-4
| Molecular Formula | C17H21N3O6S2 |
|---|---|
| Molecular Weight | 427.0872 g/mol |
| LogP | 2.84697 |
| Topological Polar Surface Area | 156.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.0872 |
| Monoisotopic Mass | 427.0872 |
| Heavy Atoms | 28 |
| Complexity | 876.11365 |
Chemical Identifiers
| CAS Number | 182004-64-4 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate (CAS 182004-64-4), with molecular formula C17H21N3O6S2 and molecular weight 427.0872 g/mol. IUPAC: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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