2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate (CAS 85050-06-2) — formula C23H23N3O6S2, molecular weight 501.6; category organic chemicals.
| CAS Number | 85050-06-2 |
|---|---|
| Molecular Formula | C23H23N3O6S2 |
| Molecular Weight | 501.6 |
| Category | Organic Chemicals |
2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate is a carbon-based organic compound with CAS registry number 85050-06-2 and molecular formula C23H23N3O6S2 (molecular weight 501.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85050-06-2
Its molecular formula C23H23N3O6S2 comprises 23 C, 23 H, 3 N, 6 O, 2 S atoms.
Also known as: 2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate · 2-[[5-[4-(甲氧基羰基)苯基]-3-甲基-1,3,4-噻二唑-2(3H)-亚基]甲基]-1-甲基喹啉鎓甲基硫酸盐
Category: organic chemicals
The CAS registry number of 2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate is 85050-06-2.
Molecular formula C23H23N3O6S2, molecular weight 501.6.
It is also registered under: 2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate, 2-[[5-[4-(甲氧基羰基)苯基]-3-甲基-1,3,4-噻二唑-2(3H)-亚基]甲基]-1-甲基喹啉鎓甲基硫酸盐.
Category: Organic Chemicals.
Independent reference data for 2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate (CAS 85050-06-2), compiled from public chemistry databases.
| CAS 号 | 85050-06-2 |
|---|---|
| PubChem CID | 57354428 |
| 分子式 | C23H23N3O6S2 |
| IUPAC 名称 | methyl 4-[4-methyl-5-[(1-methylquinolin-2-ylidene)methyl]-1,3,4-thiadiazol-4-ium-2-yl]benzoate;methyl sulfate |
| UNII（FDA） | NS00061507 |
| Molecular Weight | 501.6 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 501.10282781 |
| Monoisotopic Mass | 501.10282781 |
| Topological Polar Surface Area | 149 |
| Heavy Atom Count | 34 |
MGBJLQOGUZXASV-UHFFFAOYSA-M; DTXSID001005419; NS00061507
2-[[5-[4-(甲氧基羰基)苯基]-3-甲基-1,3,4-噻二唑-2(3H)-亚基]甲基]-1-甲基喹啉鎓甲基硫酸盐 · CAS 85050-06-2 · C23H23N3O6S2. UNII NS00061507.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[[5-[4-(甲氧基羰基)苯基]-3-甲基-1,3,4-噻二唑-2(3H)-亚基]甲基]-1-甲基喹啉鎓甲基硫酸盐