4-NITROPHENACYL THIOCYANATE (CAS 6097-21-8) — formula C9H6N2O3S, molecular weight 222.22; category organic chemicals.
| CAS Number | 6097-21-8 |
|---|---|
| Molecular Formula | C9H6N2O3S |
| Molecular Weight | 222.22 |
| LogP | 2.2 |
| Category | Organic Chemicals |
4-NITROPHENACYL THIOCYANATE is a carbon-based organic compound with CAS registry number 6097-21-8 and molecular formula C9H6N2O3S (molecular weight 222.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6097-21-8
Its molecular formula C9H6N2O3S comprises 9 C, 6 H, 2 N, 3 O, 1 S atoms.
Also known as: 4-NITROPHENACYL THIOCYANATE · 1-(4-硝基苯基)-2-硫代氰酸酯邻-乙酮
Category: organic chemicals
The CAS registry number of 4-NITROPHENACYL THIOCYANATE is 6097-21-8.
Molecular formula C9H6N2O3S, molecular weight 222.22.
It is also registered under: 4-NITROPHENACYL THIOCYANATE, 1-(4-硝基苯基)-2-硫代氰酸酯邻-乙酮.
Category: Organic Chemicals.
Independent reference data for 4-NITROPHENACYL THIOCYANATE (CAS 6097-21-8), compiled from public chemistry databases.
| CAS 号 | 6097-21-8 |
|---|---|
| PubChem CID | 1988488 |
| 分子式 | C9H6N2O3S |
| IUPAC 名称 | [2-(4-nitrophenyl)-2-oxoethyl] thiocyanate |
| UNII（FDA） | ST45027741 |
| Molecular Weight | 222.22 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.00991323 |
| Monoisotopic Mass | 222.00991323 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 15 |
6097-21-8; 2-(4-nitrophenyl)-2-oxoethyl thiocyanate; DTXSID70365799; RefChem:252764; DTXCID40316839; 4-Nitrophenacyl thiocyanate; 1-(4-Nitrophenyl)-2-thiocyanatoethanone; [2-(4-nitrophenyl)-2-oxoethyl] thiocyanate; MFCD01629909; 1-(4-nitrophenyl)-2-thiocyanatoethan-1-one; 2-(cyanosulfanyl)-1-(4-nitrophenyl)ethan-1-one; Thiocyanic acid, 2-(4-nitrophenyl)-2-oxoethyl ester; 4-NITROPHENACYLTHIOCYANATE; [2-(4-nitrophenyl)-2-oxoethyl]thiocarbonitrile; Oprea1_201754; SCHEMBL4485061
1-(4-硝基苯基)-2-硫代氰酸酯邻-乙酮 · CAS 6097-21-8 · C9H6N2O3S. UNII ST45027741.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-(4-硝基苯基)-2-硫代氰酸酯邻-乙酮