1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 2416-79-7) — formula C9H9N3OS, molecular weight 207.25; category organic chemicals.
| CAS Number | 2416-79-7 |
|---|---|
| Molecular Formula | C9H9N3OS |
| Molecular Weight | 207.25 |
| LogP | 1.1 |
| Category | Organic Chemicals |
1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is a carbon-based organic compound with CAS registry number 2416-79-7 and molecular formula C9H9N3OS (molecular weight 207.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2416-79-7
Its molecular formula C9H9N3OS comprises 9 C, 9 H, 3 N, 1 O, 1 S atoms.
Also known as: 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione · 1-(羟甲基)-4-苯基-4,5-二氢-1H-1,2,4-三唑-5-硫酮
Category: organic chemicals
The CAS registry number of 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is 2416-79-7.
Molecular formula C9H9N3OS, molecular weight 207.25.
It is also registered under: 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 1-(羟甲基)-4-苯基-4,5-二氢-1H-1,2,4-三唑-5-硫酮.
Category: Organic Chemicals.
Independent reference data for 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 2416-79-7), compiled from public chemistry databases.
| CAS 号 | 2416-79-7 |
|---|---|
| PubChem CID | 200643 |
| 分子式 | C9H9N3OS |
| IUPAC 名称 | 2-(hydroxymethyl)-4-phenyl-1,2,4-triazole-3-thione |
| UNII（FDA） | HMS2278G11 |
| Molecular Weight | 207.25 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 207.04663309 |
| Monoisotopic Mass | 207.04663309 |
| Topological Polar Surface Area | 71.2 |
| Heavy Atom Count | 14 |
BRN 0612603; 2416-79-7; delta(sup 2)-1,2,4-Triazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-; 2-Hydroxymethyl-4-phenyl-1,2,4-triazoline-3-thione; DTXSID70178866; 1-(Hydroxymethyl)-4-phenyl-delta(sup 2)-1,2,4-triazoline-5-thione; 5-26-04-00038 (Beilstein Handbook Reference); RefChem:336797; DTXCID30101357; 1-(hydroxymethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione; CBMicro_017582; MLS000079718; DivK1c_005118; CHEMBL1491947; HMS2278G11; CCG-6194
1-(羟甲基)-4-苯基-4,5-二氢-1H-1,2,4-三唑-5-硫酮 · CAS 2416-79-7 · C9H9N3OS. UNII HMS2278G11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.