Thiocyanic acid, 2-oxopropyl ester (9CI) (CAS 3029-48-9) — formula C4H5NOS, molecular weight 115.16; category organic chemicals.
| CAS Number | 3029-48-9 |
|---|---|
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.16 |
| LogP | 0.7 |
| Category | Organic Chemicals |
Thiocyanic acid, 2-oxopropyl ester (9CI) is a carbon-based organic compound with CAS registry number 3029-48-9 and molecular formula C4H5NOS (molecular weight 115.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3029-48-9
Its molecular formula C4H5NOS comprises 4 C, 5 H, 1 N, 1 O, 1 S atoms.
Also known as: Thiocyanic acid, 2-oxopropyl ester (9CI) · 1-(氰硫基)-2-丙酮
Category: organic chemicals
The CAS registry number of Thiocyanic acid, 2-oxopropyl ester (9CI) is 3029-48-9.
Molecular formula C4H5NOS, molecular weight 115.16.
It is also registered under: Thiocyanic acid, 2-oxopropyl ester (9CI), 1-(氰硫基)-2-丙酮.
Category: Organic Chemicals.
Independent reference data for Thiocyanic acid, 2-oxopropyl ester (9CI) (CAS 3029-48-9), compiled from public chemistry databases.
| CAS 号 | 3029-48-9 |
|---|---|
| PubChem CID | 12499358 |
| 分子式 | C4H5NOS |
| IUPAC 名称 | 2-oxopropyl thiocyanate |
| UNII（FDA） | 48SSA32USX |
| Molecular Weight | 115.16 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 115.00918496 |
| Monoisotopic Mass | 115.00918496 |
| Topological Polar Surface Area | 66.2 |
| Heavy Atom Count | 7 |
1-(cyanosulfanyl)propan-2-one; RefChem:427522; 819-657-7; 3029-48-9; 2-Oxopropyl thiocyanate; Thiocyanic acid, 2-oxopropyl ester; thiocyano-acetone; Thiocyanatoacetone; acetonyl thiocyanate; 48SSA32USX; (2-oxopropyl)thiocarbonitrile; SCHEMBL1349370; DTXSID00500499; AKOS022504420; CS-0239749; ST51043955
| 已通报的危害声明 | H301 (100%), H302 (100%), H314 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
1-(氰硫基)-2-丙酮 · CAS 3029-48-9 · C4H5NOS. UNII 48SSA32USX.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-(氰硫基)-2-丙酮