MethylThymolBlueComplexone (CAS 1945-77-3) — formula C37H40N2Na4O13S, molecular weight 844.7; category organic chemicals.
MethylThymolBlueComplexone is a carbon-based organic compound with CAS registry number 1945-77-3 and molecular formula C37H40N2Na4O13S (molecular weight 844.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1945-77-3
Its molecular formula C37H40N2Na4O13S comprises 37 C, 40 H, 2 N, 4 Na, 13 O, 1 S atoms.
Also known as: MethylThymolBlueComplexone · Methylthymol Blue, tetrasodium salt
Category: organic chemicals
The CAS registry number of MethylThymolBlueComplexone is 1945-77-3.
Molecular formula C37H40N2Na4O13S, molecular weight 844.7.
It is also registered under: MethylThymolBlueComplexone, Methylthymol Blue, tetrasodium salt.
Category: Organic Chemicals.
Public-database records for MethylThymolBlueComplexone (CAS 1945-77-3), reproduced here for independent cross-checking.
| GHS 通报统计 | 100% (4 / 4) |
|---|
| GHS 通报统计 | 100% (4 / 4) |
|---|
| CAS 号 | 1945-77-3 |
|---|---|
| PubChem CID | 73037 |
| 分子式 | C37H40N2Na4O13S |
| IUPAC 名称 | tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate |
| UNII（FDA） | 3T592ZMB9H |
Methylthymol blue; UNII-3T592ZMB9H; NSC 74311; 3T592ZMB9H; EINECS 217-743-3; DTXSID80889451; NSC-74311; METHYLTHYMOL BLUE TETRASODIUM SALT [MI]; Methylthymol Blue tetrasodium salt; RefChem:158340; DTXCID501030762; Methylthymol Blue [MI]; 1945-77-3; Methylthymol Blue sodium salt; METHYLTHYMOLBLUE; Methylthymol blue tetrasodium
| 分子量 | 844.7 |
|---|---|
| 氢键供体数 | 2 |
| 氢键受体数 | 15 |
| 可旋转键数 | 12 |
| 精确质量 | 844.18418764 |
| 单同位素质量 | 844.18418764 |
| 拓扑极性表面积 | 259 |
| 重原子数 | 57 |
| 形式电荷 | 0 |
| 复杂度 | 1300 |
甲基百里酚蓝络合物 · CAS 1945-77-3 · C37H40N2Na4O13S. UNII 3T592ZMB9H.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.