Ethyl 3-isothiocyanatopropionate (CAS 17126-62-4) — formula C6H9NO2S, molecular weight 159.21; category organic chemicals.
| CAS Number | 17126-62-4 |
|---|---|
| Molecular Formula | C6H9NO2S |
| Molecular Weight | 159.21 |
| LogP | 1.8 |
| Category | Organic Chemicals |
Ethyl 3-isothiocyanatopropionate is a carbon-based organic compound with CAS registry number 17126-62-4 and molecular formula C6H9NO2S (molecular weight 159.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 17126-62-4
Its molecular formula C6H9NO2S comprises 6 C, 9 H, 1 N, 2 O, 1 S atoms.
Also known as: Ethyl 3-isothiocyanatopropionate · 3-异硫氰酸丙酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl 3-isothiocyanatopropionate is 17126-62-4.
Molecular formula C6H9NO2S, molecular weight 159.21.
It is also registered under: Ethyl 3-isothiocyanatopropionate, 3-异硫氰酸丙酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl 3-isothiocyanatopropionate (CAS 17126-62-4), compiled from public chemistry databases.
| CAS Registry Number | 17126-62-4 |
|---|---|
| PubChem CID | 526514 |
| Molecular formula | C6H9NO2S |
| IUPAC name | ethyl 3-isothiocyanatopropanoate |
| Molecular Weight | 159.21 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 159.03539970 |
| Monoisotopic Mass | 159.03539970 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 10 |
Ethyl 3-isothiocyanatopropionate; 17126-62-4; DTXSID90335712; RefChem:343459; DTXCID40286801; UPTRONYNXNYITM-UHFFFAOYSA-N; ethyl 3-isothiocyanatopropanoate; MFCD00041130; Ethyl 3-isothiocyanatopropionate,; 3-Isothiocyanato-propionic acid ethyl ester; SCHEMBL1457047; ethyl-3-isothiocynato propionate; SAA12662; AKOS005206786; FS-4284; Ethyl 3-isothiocyanatopropanoate, AldrichCPR
| Reported hazard statements | H302 (100%), H312 (100%), H314 (83.3%), H315 (16.7%), H319 (16.7%), H331 (83.3%), H332 (16.7%), H335 (16.7%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Ethyl 3-isothiocyanatopropionate · CAS 17126-62-4 · C6H9NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-异硫氰酸丙酸乙酯