methyl N-(thioxomethylidene)-L-alaninate (CAS 21055-39-0) — formula C5H7NO2S, molecular weight 145.18; category organic chemicals.
| CAS Number | 21055-39-0 |
|---|---|
| Molecular Formula | C5H7NO2S |
| Molecular Weight | 145.18 |
| LogP | 2.1 |
| Category | Organic Chemicals |
methyl N-(thioxomethylidene)-L-alaninate is a carbon-based organic compound with CAS registry number 21055-39-0 and molecular formula C5H7NO2S (molecular weight 145.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21055-39-0
Its molecular formula C5H7NO2S comprises 5 C, 7 H, 1 N, 2 O, 1 S atoms.
Also known as: methyl N-(thioxomethylidene)-L-alaninate · N-(硫代亚甲基)-L-丙氨酸甲酯
Category: organic chemicals
The CAS registry number of methyl N-(thioxomethylidene)-L-alaninate is 21055-39-0.
Molecular formula C5H7NO2S, molecular weight 145.18.
It is also registered under: methyl N-(thioxomethylidene)-L-alaninate, N-(硫代亚甲基)-L-丙氨酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl N-(thioxomethylidene)-L-alaninate (CAS 21055-39-0), compiled from public chemistry databases.
| CAS Registry Number | 21055-39-0 |
|---|---|
| PubChem CID | 2733639 |
| Molecular formula | C5H7NO2S |
| IUPAC name | methyl 2-isothiocyanatopropanoate |
| Molecular Weight | 145.18 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 145.01974964 |
| Monoisotopic Mass | 145.01974964 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 9 |
methyl 2-isothiocyanatopropanoate; RefChem:814492; 976-870-9; 21055-39-0; methyl N-(thioxomethylene)alaninate; MFCD01632597; Propanoic acid, 2-isothiocyanato-, methyl ester; METHYL2-ISOTHIOCYANATOPROPIONATE; alanine, N-carbonothioyl-, methyl ester; Propanoic acid,2-isothiocyanato-, methyl ester; methyl isothiocyanopropanoate; SCHEMBL1457050; ALBB-014378; AKOS003383191; AKOS016050498; METHYL 2-ISOTHIOCYANATOPROPIONATE
| Reported hazard statements | H227 (100%), H302 (100%), H312 (100%), H315 (100%), H318 (100%), H332 (100%), H334 (100%), H335 (100%) |
|---|
H227 (100%): Combustible liquid [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
methyl N-(thioxomethylidene)-L-alaninate · CAS 21055-39-0 · C5H7NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-(硫代亚甲基)-L-丙氨酸甲酯