2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE (CAS 182004-65-5) — formula C17H21N3O6S2, molecular weight 427.5.
| CAS Number | 182004-65-5 |
|---|---|
| Molecular Formula | C17H21N3O6S2 |
| Molecular Weight | 427.5 |
2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE is a chemical compound with CAS registry number 182004-65-5 and molecular formula C17H21N3O6S2 (molecular weight 427.5).
CAS number: 182004-65-5
Its molecular formula C17H21N3O6S2 comprises 17 C, 21 H, 3 N, 6 O, 2 S atoms.
Also known as: 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE · 2-[2-[4-(4-硝基苄氧基)苯基]乙基]异硫脲甲磺酸盐
The CAS registry number of 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE is 182004-65-5.
Molecular formula C17H21N3O6S2, molecular weight 427.5.
It is also registered under: 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE, 2-[2-[4-(4-硝基苄氧基)苯基]乙基]异硫脲甲磺酸盐.
Independent reference data for 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE (CAS 182004-65-5), compiled from public chemistry databases.
| CAS Registry Number | 182004-65-5 |
|---|---|
| PubChem CID | 9823846 |
| Molecular formula | C17H21N3O6S2 |
| IUPAC name | methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate |
| UNII (FDA) | HMS3267H09 |
| Molecular Weight | 427.5 |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 427.08717775 |
| Monoisotopic Mass | 427.08717775 |
| Topological Polar Surface Area | 193 |
| Heavy Atom Count | 28 |
2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate; KBR7943; No 7943; KBR 7943; KBR-7943; KB-7943; RefChem:909120; 182004-65-5; KB-R7943 mesylate; KB-R7943; 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE; KB-R7943 (mesylate); KB-R 7943; MFCD00952138; C17H21N3O6S2; 4-((4-Nitrobenzyl)oxy)phenethyl carbamimidothioate methanesulfonate
| Reported hazard statements | H400 (100%) |
|---|
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE · CAS 182004-65-5 · C17H21N3O6S2. UNII HMS3267H09.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.