4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 70452-47-0) — formula C17H17N3O3S, molecular weight 343.4; category organic chemicals.
| CAS Number | 70452-47-0 |
|---|---|
| Molecular Formula | C17H17N3O3S |
| Molecular Weight | 343.4 |
| LogP | 3.1 |
| Category | Organic Chemicals |
4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol is a carbon-based organic compound with CAS registry number 70452-47-0 and molecular formula C17H17N3O3S (molecular weight 343.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70452-47-0
Its molecular formula C17H17N3O3S comprises 17 C, 17 H, 3 N, 3 O, 1 S atoms.
Also known as: 4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol · 4-苯基-5-(3,4,5-三甲氧基苯基)-4H-1,2,4-三唑-3-硫醇
Category: organic chemicals
The CAS registry number of 4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol is 70452-47-0.
Molecular formula C17H17N3O3S, molecular weight 343.4.
It is also registered under: 4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-苯基-5-(3,4,5-三甲氧基苯基)-4H-1,2,4-三唑-3-硫醇.
Category: Organic Chemicals.
Independent reference data for 4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 70452-47-0), compiled from public chemistry databases.
| CAS 号 | 70452-47-0 |
|---|---|
| PubChem CID | 716384 |
| 分子式 | C17H17N3O3S |
| IUPAC 名称 | 4-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione |
| UNII（FDA） | ST50213563 |
| Molecular Weight | 343.4 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 343.09906259 |
| Monoisotopic Mass | 343.09906259 |
| Topological Polar Surface Area | 87.4 |
| Heavy Atom Count | 24 |
70452-47-0; 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; DTXSID30352004; RefChem:295485; DTXCID70303070; 4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol; 4-phenyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione; MFCD00171216; 4-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione; 4-PHENYL-3-(3,4,5-TRIMETHOXYPHENYL)-1,2,4-TRIAZOLINE-5-THIONE; SR-01000418043; 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiol; 4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol; Oprea1_652770; Oprea1_716558; SCHEMBL10012170
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
4-苯基-5-(3,4,5-三甲氧基苯基)-4H-1,2,4-三唑-3-硫醇 · CAS 70452-47-0 · C17H17N3O3S. UNII ST50213563.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.