3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN& (CAS 42729-26-0) — formula C8H4F3NS2, molecular weight 235.3; category organic chemicals.
| CAS Number | 42729-26-0 |
|---|---|
| Molecular Formula | C8H4F3NS2 |
| Molecular Weight | 235.3 |
| LogP | 5.2 |
| Category | Organic Chemicals |
3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN& is a carbon-based organic compound with CAS registry number 42729-26-0 and molecular formula C8H4F3NS2 (molecular weight 235.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42729-26-0
Its molecular formula C8H4F3NS2 comprises 8 C, 4 H, 3 F, 1 N, 2 S atoms.
Also known as: 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN& · 3-(三氟甲硫基)异硫氰酸苯酯
Category: organic chemicals
The CAS registry number of 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN& is 42729-26-0.
Molecular formula C8H4F3NS2, molecular weight 235.3.
It is also registered under: 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN&, 3-(三氟甲硫基)异硫氰酸苯酯.
Category: Organic Chemicals.
Independent reference data for 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYAN& (CAS 42729-26-0), compiled from public chemistry databases.
| CAS 号 | 42729-26-0 |
|---|---|
| PubChem CID | 4411027 |
| 分子式 | C8H4F3NS2 |
| IUPAC 名称 | 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene |
| Molecular Weight | 235.3 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.97372597 |
| Monoisotopic Mass | 234.97372597 |
| Topological Polar Surface Area | 69.8 |
| Heavy Atom Count | 14 |
3-(Trifluoromethylthio)phenyl isothiocyanate; 42729-26-0; DTXSID20402981; RefChem:276086; DTXCID50353836; 620-619-5; 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene; 1-Isothiocyanato-3-[(trifluoromethyl)thio]benzene; 1-ISOTHIOCYANATO-3-[(TRIFLUOROMETHYL)SULFANYL]BENZENE; SCHEMBL2891802; MFCD02683531; AS-81360; 3-(trifluoromethylthio)phenylisothiocyanate; G78547; 3-(Trifluoromethylthio)phenyl isothiocyanate, 97%
| 已通报的危害声明 | H314 (100%), H318 (100%) |
|---|
3-(三氟甲硫基)异硫氰酸苯酯 · CAS 42729-26-0 · C8H4F3NS2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(三氟甲硫基)异硫氰酸苯酯