4-(Trifluoromethyl)-2-pyrimidinethiol (CAS 136547-17-6) — formula C5H3F3N2S, molecular weight 180.15; category organic chemicals.
| CAS Number | 136547-17-6 |
|---|---|
| Molecular Formula | C5H3F3N2S |
| Molecular Weight | 180.15 |
| LogP | 0.8 |
| Category | Organic Chemicals |
4-(Trifluoromethyl)-2-pyrimidinethiol is a carbon-based organic compound with CAS registry number 136547-17-6 and molecular formula C5H3F3N2S (molecular weight 180.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 136547-17-6
Its molecular formula C5H3F3N2S comprises 5 C, 3 H, 3 F, 2 N, 1 S atoms.
Also known as: 4-(Trifluoromethyl)-2-pyrimidinethiol · 4-(三氟甲基)-2-嘧啶硫醇
Category: organic chemicals
The CAS registry number of 4-(Trifluoromethyl)-2-pyrimidinethiol is 136547-17-6.
Molecular formula C5H3F3N2S, molecular weight 180.15.
It is also registered under: 4-(Trifluoromethyl)-2-pyrimidinethiol, 4-(三氟甲基)-2-嘧啶硫醇.
Category: Organic Chemicals.
Independent reference data for 4-(Trifluoromethyl)-2-pyrimidinethiol (CAS 136547-17-6), compiled from public chemistry databases.
| CAS Registry Number | 136547-17-6 |
|---|---|
| PubChem CID | 1240105 |
| Molecular formula | C5H3F3N2S |
| IUPAC name | 6-(trifluoromethyl)-1H-pyrimidine-2-thione |
| UNII (FDA) | HMS1524K05 |
| Molecular Weight | 180.15 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.99690376 |
| Monoisotopic Mass | 179.99690376 |
| Topological Polar Surface Area | 56.5 |
| Heavy Atom Count | 11 |
136547-17-6; 4-(Trifluoromethyl)pyrimidine-2-thiol; DTXSID20929466; RefChem:517186; DTXCID801358214; 625-180-3; 949-272-0; 4-(trifluoromethyl)-2-pyrimidinethiol; 2-Mercapto-4-trifluoromethylpyrimidine; 2-Mercapto-4-(trifluoromethyl)pyrimidine; 6-(trifluoromethyl)-1H-pyrimidine-2-thione; MFCD00115113; C5H3F3N2S; 4-trifluoromethylpyrimidine-2-thiol; 4-(trifluoromethyl)-1,2-dihydropyrimidine-2-thione; 13654-17-6
| Reported hazard statements | H301 (97.6%), H311 (97.6%), H331 (97.6%) |
|---|
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (97.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
4-(Trifluoromethyl)-2-pyrimidinethiol · CAS 136547-17-6 · C5H3F3N2S. UNII HMS1524K05.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(三氟甲基)-2-嘧啶硫醇