3-(Methylthio)propanoic acid (CAS 646-01-5) — formula C4H8O2S, molecular weight 120.17; category pharmaceutical intermediates and APIs.
| CAS Number | 646-01-5 |
|---|---|
| Molecular Formula | C4H8O2S |
| Molecular Weight | 120.17 |
| Boiling Point | 244.00 to 247.00 °C. @ 760.00 mm Hg |
| LogP | 0.4 |
| Category | Pharmaceutical Intermediates |
3-(Methylthio)propanoic acid is a pharmaceutical intermediate or API compound with CAS registry number 646-01-5 and molecular formula C4H8O2S (molecular weight 120.17), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 646-01-5
Its molecular formula C4H8O2S comprises 4 C, 8 H, 2 O, 1 S atoms.
Also known as: 3-(Methylthio)propanoic acid · 3-(甲硫基)丙酸
Category: pharmaceutical intermediates and APIs
The CAS registry number of 3-(Methylthio)propanoic acid is 646-01-5.
Molecular formula C4H8O2S, molecular weight 120.17.
It is also registered under: 3-(Methylthio)propanoic acid, 3-(甲硫基)丙酸.
Category: Pharmaceutical Intermediates.
Independent reference data for 3-(Methylthio)propanoic acid (CAS 646-01-5), compiled from public chemistry databases.
| CAS Registry Number | 646-01-5 |
|---|---|
| PubChem CID | 563 |
| Molecular formula | C4H8O2S |
| IUPAC name | 3-methylsulfanylpropanoic acid |
| UNII (FDA) | F523ALI47D |
| Molecular Weight | 120.17 |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 120.02450067 |
| Monoisotopic Mass | 120.02450067 |
| Topological Polar Surface Area | 62.6 |
| Heavy Atom Count | 7 |
| Boiling Point | 244.00 to 247.00 °C. @ 760.00 mm Hg |
|---|
3-(Methylthio)propionic acid; 646-01-5; 3-methylthiopropionate; Propanoic acid, 3-(methylthio)-; 3-(Methylthio)propanoic acid; F523ALI47D; CHEBI:1438; DTXSID70862354; 3-methylmercaptopropionate; RefChem:495603; DTXCID00811133; 211-460-9; 3-(Methylsulfanyl)propanoic acid; 4-Thiapentanoic acid; 3-methylsulfanylpropanoic acid; MFCD00059635
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|
| Reported hazard statements | H290 (14.3%), H314 (100%), H318 (14.3%) |
|---|
H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
3-(Methylthio)propanoic acid · CAS 646-01-5 · C4H8O2S. UNII F523ALI47D. Boiling Point: 244.00 to 247.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(甲硫基)丙酸