4-ACETYLPHENYL ISOTHIOCYANATE (CAS 2131-57-9) — formula C9H7NOS, molecular weight 177.22; category organic chemicals.
| CAS Number | 2131-57-9 |
|---|---|
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.22 |
| LogP | 3 |
| Category | Organic Chemicals |
4-ACETYLPHENYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 2131-57-9 and molecular formula C9H7NOS (molecular weight 177.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2131-57-9
Its molecular formula C9H7NOS comprises 9 C, 7 H, 1 N, 1 O, 1 S atoms.
Also known as: 4-ACETYLPHENYL ISOTHIOCYANATE · 4-乙酰苯基硫氰酸酯
Category: organic chemicals
The CAS registry number of 4-ACETYLPHENYL ISOTHIOCYANATE is 2131-57-9.
Molecular formula C9H7NOS, molecular weight 177.22.
It is also registered under: 4-ACETYLPHENYL ISOTHIOCYANATE, 4-乙酰苯基硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 4-ACETYLPHENYL ISOTHIOCYANATE (CAS 2131-57-9), compiled from public chemistry databases.
| CAS 号 | 2131-57-9 |
|---|---|
| PubChem CID | 242779 |
| 分子式 | C9H7NOS |
| IUPAC 名称 | 1-(4-isothiocyanatophenyl)ethanone |
| UNII（FDA） | ST50825101 |
| Molecular Weight | 177.22 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 177.02483502 |
| Monoisotopic Mass | 177.02483502 |
| Topological Polar Surface Area | 61.5 |
| Heavy Atom Count | 12 |
1-(4-Isothiocyanatophenyl)ethan-1-one; RefChem:425703; 670-498-8; 4-Acetylphenyl isothiocyanate; 2131-57-9; 1-(4-Isothiocyanatophenyl)ethanone; 4-Acetylphenylisothiocyanate; MFCD00041100; 4'-isothiocyanatoacetophenone; 1-(4-isothiocyanato-phenyl)-ethanone; Phenylisothiocyanate, 4-acetyl; NSC51673; 4-acetylphenyl-isothiocyanate; 4-Acetyl phenyl isothiocyanate; SCHEMBL1308638; DTXSID30287589
| 已通报的危害声明 | H302, H312, H332 (86.7%), H314 (97.8%), H317 (88.9%) |
|---|
4-乙酰苯基硫氰酸酯 · CAS 2131-57-9 · C9H7NOS. UNII ST50825101.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-乙酰苯基硫氰酸酯