THI (CAS 95120-07-3) — formula C9H14N2O5, molecular weight 230.22; category organic chemicals.
| CAS Number | 95120-07-3 |
|---|---|
| Molecular Formula | C9H14N2O5 |
| Molecular Weight | 230.22 |
| Melting Point | 232 - 233 °C |
| LogP | -2.7 |
| Category | Organic Chemicals |
THI is a carbon-based organic compound with CAS registry number 95120-07-3 and molecular formula C9H14N2O5 (molecular weight 230.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95120-07-3
Its molecular formula C9H14N2O5 comprises 9 C, 14 H, 2 N, 5 O atoms.
Also known as: THI · 2-乙酰基-4-羟基-丁基咪唑
Category: organic chemicals
The CAS registry number of THI is 95120-07-3.
Molecular formula C9H14N2O5, molecular weight 230.22.
It is also registered under: THI, 2-乙酰基-4-羟基-丁基咪唑.
Category: Organic Chemicals.
Independent reference data for THI (CAS 95120-07-3), compiled from public chemistry databases.
| CAS 号 | 95120-07-3 |
|---|---|
| PubChem CID | 180624 |
| 分子式 | C9H14N2O5 |
| IUPAC 名称 | 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone |
| Molecular Weight | 230.22 |
|---|---|
| XLogP3 | -2.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 230.09027155 |
| Monoisotopic Mass | 230.09027155 |
| Topological Polar Surface Area | 127 |
| Heavy Atom Count | 16 |
| Melting Point | 232 - 233 °C |
|---|
95120-07-3; 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone; (1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole; 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethan-1-one; 1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethan-1-one; 1-(5-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone; 1-[4-(1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL]ETHANONE; 2-acetyl-4-(1,2,3,4-tetrahydroxybutyl)imidazole; Ethanone, 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]-; SCHEMBL476979; SCHEMBL4554040; DTXSID60915106; CHEBI:174180; EBC-14785; DB-080150; EN300-23686423
2-乙酰基-4-羟基-丁基咪唑 · CAS 95120-07-3 · C9H14N2O5. Melting Point: 232 - 233 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-乙酰基-4-羟基-丁基咪唑