2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one (CAS 83783-55-5) — formula C16H21N3O2S, molecular weight 319.4; category organic chemicals.
| CAS Number | 83783-55-5 |
|---|---|
| Molecular Formula | C16H21N3O2S |
| Molecular Weight | 319.4 |
| LogP | 4.9 |
| Category | Organic Chemicals |
2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one is a carbon-based organic compound with CAS registry number 83783-55-5 and molecular formula C16H21N3O2S (molecular weight 319.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83783-55-5
Its molecular formula C16H21N3O2S comprises 16 C, 21 H, 3 N, 2 O, 1 S atoms.
Also known as: 2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one · 2-[3-(己硫基)-1H-1,2,4-三唑-1-基]-1-(2-羟基苯基)乙烷-1-酮
Category: organic chemicals
The CAS registry number of 2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one is 83783-55-5.
Molecular formula C16H21N3O2S, molecular weight 319.4.
It is also registered under: 2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one, 2-[3-(己硫基)-1H-1,2,4-三唑-1-基]-1-(2-羟基苯基)乙烷-1-酮.
Category: Organic Chemicals.
Independent reference data for 2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one (CAS 83783-55-5), compiled from public chemistry databases.
| CAS 号 | 83783-55-5 |
|---|---|
| PubChem CID | 11970738 |
| 分子式 | C16H21N3O2S |
| IUPAC 名称 | 2-(3-hexylsulfanyl-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethanone |
| UNII（FDA） | NS00061907 |
| Molecular Weight | 319.4 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 319.13544809 |
| Monoisotopic Mass | 319.13544809 |
| Topological Polar Surface Area | 93.3 |
| Heavy Atom Count | 22 |
83783-55-5; EINECS 280-789-8; 2-(3-(Hexylthio)-1H-1,2,4-triazol-1-yl)-1-(2-hydroxyphenyl)ethan-1-one; SUEDIJGRWGXHAD-UHFFFAOYSA-N; DTXSID101003830; 2-[3-(Hexylsulfanyl)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one; NS00061907
2-[3-(己硫基)-1H-1,2,4-三唑-1-基]-1-(2-羟基苯基)乙烷-1-酮 · CAS 83783-55-5 · C16H21N3O2S. UNII NS00061907.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.