3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID (CAS 51099-68-4) — formula C12H14N2O2S, molecular weight 250.32; category organic chemicals.
3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID is a carbon-based organic compound with CAS registry number 51099-68-4 and molecular formula C12H14N2O2S (molecular weight 250.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51099-68-4
Its molecular formula C12H14N2O2S comprises 12 C, 14 H, 2 N, 2 O, 1 S atoms.
Also known as: 3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID · 3-((1-乙基-1H-苯并[D]咪唑-2-基)硫代)丙酸
Category: organic chemicals
The CAS registry number of 3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID is 51099-68-4.
Molecular formula C12H14N2O2S, molecular weight 250.32.
It is also registered under: 3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID, 3-((1-乙基-1H-苯并[D]咪唑-2-基)硫代)丙酸.
Category: Organic Chemicals.
Public-database records for 3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID (CAS 51099-68-4), reproduced here for independent cross-checking.
| CAS 号 | 51099-68-4 |
|---|---|
| PubChem CID | 601261 |
| 分子式 | C12H14N2O2S |
| IUPAC 名称 | 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoic acid |
| UNII（FDA） | HMS5171P05 |
51099-68-4; 3-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID; 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoic acid; 3-[(1-Ethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid; MFCD01874326; 3-((1-Ethyl-1H-benzo[d]imidazol-2-yl)thio)propanoic acid; 3-[(1-ETHYL-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]PROPANOIC ACID; Oprea1_111020; DTXSID10345030; BTPUORIJGQSIMG-UHFFFAOYSA-N; HMS5171P05; STK378893; AKOS000296893; BS-38086; ST053437; CS-0323013
| 分子量 | 250.32 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 250.07759887 |
| 单同位素质量 | 250.07759887 |
| 拓扑极性表面积 | 80.4 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
3-((1-乙基-1H-苯并[D]咪唑-2-基)硫代)丙酸 · CAS 51099-68-4 · C12H14N2O2S. UNII HMS5171P05.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.