1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID (CAS 403479-30-1) — formula C12H12N2O2S, molecular weight 248.30; category organic chemicals.
| CAS Number | 403479-30-1 |
|---|---|
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.30 |
| LogP | 2.3 |
| Category | Organic Chemicals |
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID is a carbon-based organic compound with CAS registry number 403479-30-1 and molecular formula C12H12N2O2S (molecular weight 248.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 403479-30-1
Its molecular formula C12H12N2O2S comprises 12 C, 12 H, 2 N, 2 O, 1 S atoms.
Also known as: 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID · 1-苄基-2-(甲基磺酰基)-1H-咪唑-5-羧酸
Category: organic chemicals
The CAS registry number of 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID is 403479-30-1.
Molecular formula C12H12N2O2S, molecular weight 248.30.
It is also registered under: 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-苄基-2-(甲基磺酰基)-1H-咪唑-5-羧酸.
Category: Organic Chemicals.
Independent reference data for 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID (CAS 403479-30-1), compiled from public chemistry databases.
| CAS 号 | 403479-30-1 |
|---|---|
| PubChem CID | 2795485 |
| 分子式 | C12H12N2O2S |
| IUPAC 名称 | 3-benzyl-2-methylsulfanylimidazole-4-carboxylic acid |
| Molecular Weight | 248.30 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 248.06194880 |
| Monoisotopic Mass | 248.06194880 |
| Topological Polar Surface Area | 80.4 |
| Heavy Atom Count | 17 |
403479-30-1; 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID; 1-Benzyl-2-(methylthio)-1H-imidazole-5-carboxylic acid; 3-benzyl-2-methylsulfanylimidazole-4-carboxylic acid; MFCD04974044; SDCCGMLS-0066074.P001; DTXSID20383706; SBB100434; AKOS004118091; PS-5604; DB-015286; 2-methylthio-1-benzylimidazole-5-carboxylic acid; 3-benzyl-2-methylsulfanyl-imidazole-4-carboxylic acid
1-苄基-2-(甲基磺酰基)-1H-咪唑-5-羧酸 · CAS 403479-30-1 · C12H12N2O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.