Phenacyl thiocyanate (CAS 5399-30-4) — formula C9H7NOS, molecular weight 177.22; category organic chemicals.
Phenacyl thiocyanate (CAS 5399-30-4) is a chemical raw material in the organic chemicals category. Its molecular formula C9H7NOS comprises 9 C, 7 H, 1 N, 1 O, 1 S atoms. Its molecular weight is about 177.22. Reported physicochemical data: LogP about 2.3. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 5399-30-4 |
|---|---|
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.22 |
| LogP | 2.3 |
| Category | Organic Chemicals |
Phenacyl thiocyanate is a carbon-based organic compound with CAS registry number 5399-30-4 and molecular formula C9H7NOS (molecular weight 177.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5399-30-4
Its molecular formula C9H7NOS comprises 9 C, 7 H, 1 N, 1 O, 1 S atoms.
Also known as: Phenacyl thiocyanate · 硫氰酸苯甲酰酯
Category: organic chemicals
The CAS registry number of Phenacyl thiocyanate is 5399-30-4.
Molecular formula C9H7NOS, molecular weight 177.22.
It is also registered under: Phenacyl thiocyanate, 硫氰酸苯甲酰酯.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Phenacyl thiocyanate (CAS 5399-30-4), compiled from public chemistry databases.
| CAS Registry Number | 5399-30-4 |
|---|---|
| PubChem CID | 219693 |
| Molecular formula | C9H7NOS |
| IUPAC name | phenacyl thiocyanate |
| UNII (FDA) | HMS1434H09 |
| Molecular Weight | 177.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.02483502 |
| Monoisotopic Mass | 177.02483502 |
| Topological Polar Surface Area | 66.2 |
| Heavy Atom Count | 12 |
Phenacyl thiocyanate; DTXSID70277242; RefChem:172579; DTXCID60228400; 633-387-5; DLLVIJACDVJDIP-UHFFFAOYSA-N; 5399-30-4; 2-Oxo-2-phenylethyl thiocyanate; 1-Phenyl-2-thiocyanato-ethanone; 2-(cyanosulfanyl)-1-phenylethan-1-one; 1-phenyl-2-thiocyanatoethanone; MFCD00019769; (2-oxo-2-phenylethyl)thiocarbonitrile; PHENACYLTHIOCYANATE; Thiocyanato-acetophenone; Thiocyanic acid,2-oxo-2-phenylethyl ester
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Phenacyl thiocyanate · CAS 5399-30-4 · C9H7NOS. UNII HMS1434H09.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫氰酸苯甲酰酯