4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 91813-57-9) — formula C11H10BrN3S, molecular weight 296.19; category organic chemicals.
| CAS Number | 91813-57-9 |
|---|---|
| Molecular Formula | C11H10BrN3S |
| Molecular Weight | 296.19 |
| LogP | 3 |
| Category | Organic Chemicals |
4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is a carbon-based organic compound with CAS registry number 91813-57-9 and molecular formula C11H10BrN3S (molecular weight 296.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91813-57-9
Its molecular formula C11H10BrN3S comprises 11 C, 10 H, 1 Br, 3 N, 1 S atoms.
Also known as: 4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL · 5-(4-溴苯基)-4-(1-丙-2-烯-基)-4h-1,2,4-三唑-3-硫醇
Category: organic chemicals
The CAS registry number of 4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is 91813-57-9.
Molecular formula C11H10BrN3S, molecular weight 296.19.
It is also registered under: 4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(4-溴苯基)-4-(1-丙-2-烯-基)-4h-1,2,4-三唑-3-硫醇.
Category: Organic Chemicals.
Independent reference data for 4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 91813-57-9), compiled from public chemistry databases.
| CAS 号 | 91813-57-9 |
|---|---|
| PubChem CID | 719740 |
| 分子式 | C11H10BrN3S |
| IUPAC 名称 | 3-(4-bromophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione |
| UNII（FDA） | ST45161133 |
| Molecular Weight | 296.19 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 294.97788 |
| Monoisotopic Mass | 294.97788 |
| Topological Polar Surface Area | 59.7 |
| Heavy Atom Count | 16 |
5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; RefChem:530207; 892-098-4; 4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol; 91813-57-9; MFCD01408750; 3-(4-bromophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione; 3-(4-BROMOPHENYL)-4-(PROP-2-EN-1-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE; 5-(4-bromophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; DTXSID70352124; ALBB-003257; BBL017714; MFCD01829989; STK473935; STL025611; AKOS000594353
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
5-(4-溴苯基)-4-(1-丙-2-烯-基)-4h-1,2,4-三唑-3-硫醇 · CAS 91813-57-9 · C11H10BrN3S. UNII ST45161133.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.