5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 91759-69-2) — formula C16H15N3O2S, molecular weight 313.4; category organic chemicals.
| CAS Number | 91759-69-2 |
|---|---|
| Molecular Formula | C16H15N3O2S |
| Molecular Weight | 313.4 |
| LogP | 3.1 |
| Category | Organic Chemicals |
5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is a carbon-based organic compound with CAS registry number 91759-69-2 and molecular formula C16H15N3O2S (molecular weight 313.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91759-69-2
Its molecular formula C16H15N3O2S comprises 16 C, 15 H, 3 N, 2 O, 1 S atoms.
Also known as: 5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol · 5-(3,4-二甲氧基-苯基)-4-苯基-4H-[1,2,4]三唑-3-硫醇
Category: organic chemicals
The CAS registry number of 5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is 91759-69-2.
Molecular formula C16H15N3O2S, molecular weight 313.4.
It is also registered under: 5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol, 5-(3,4-二甲氧基-苯基)-4-苯基-4H-[1,2,4]三唑-3-硫醇.
Category: Organic Chemicals.
Independent reference data for 5-(3,4-Dimethoxy-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 91759-69-2), compiled from public chemistry databases.
| CAS 号 | 91759-69-2 |
|---|---|
| PubChem CID | 676205 |
| 分子式 | C16H15N3O2S |
| IUPAC 名称 | 3-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione |
| UNII（FDA） | HMS1545I21 |
| Molecular Weight | 313.4 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 313.08849790 |
| Monoisotopic Mass | 313.08849790 |
| Topological Polar Surface Area | 78.2 |
| Heavy Atom Count | 22 |
5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol; 91759-69-2; 3-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione; 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-phenyl-; 5-(3,4-Dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; MFCD00617761; TimTec1_004069; Oprea1_053706; Oprea1_089445; SCHEMBL8978529; VWQIHWAMQDBWDM-UHFFFAOYSA-N; HMS1545I21; ALBB-025990; SBB004462; STK149315
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
5-(3,4-二甲氧基-苯基)-4-苯基-4H-[1,2,4]三唑-3-硫醇 · CAS 91759-69-2 · C16H15N3O2S. UNII HMS1545I21.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.