METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE (CAS 21055-43-6) — formula C8H13NO2S, molecular weight 187.26; category organic chemicals.
| CAS Number | 21055-43-6 |
|---|---|
| Molecular Formula | C8H13NO2S |
| Molecular Weight | 187.26 |
| LogP | 3.4 |
| Category | Organic Chemicals |
METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE is a carbon-based organic compound with CAS registry number 21055-43-6 and molecular formula C8H13NO2S (molecular weight 187.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21055-43-6
Its molecular formula C8H13NO2S comprises 8 C, 13 H, 1 N, 2 O, 1 S atoms.
Also known as: METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE · l-2-异硫代氰酰基-4-甲基戊酸甲酯
Category: organic chemicals
The CAS registry number of METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE is 21055-43-6.
Molecular formula C8H13NO2S, molecular weight 187.26.
It is also registered under: METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE, l-2-异硫代氰酰基-4-甲基戊酸甲酯.
Category: Organic Chemicals.
Independent reference data for METHYL L-2-ISOTHIOCYANATO-4-METHYLVALERATE (CAS 21055-43-6), compiled from public chemistry databases.
| CAS 号 | 21055-43-6 |
|---|---|
| PubChem CID | 7160618 |
| 分子式 | C8H13NO2S |
| IUPAC 名称 | methyl (2S)-2-isothiocyanato-4-methylpentanoate |
| Molecular Weight | 187.26 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 187.06669983 |
| Monoisotopic Mass | 187.06669983 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 12 |
21055-43-6; Methyl L-2-isothiocyanato-4-methylvalerate; (2s)-2-isothiocyanato-4-methyl-pentanoic acid methyl ester; 206761-74-2; methyl (2S)-2-isothiocyanato-4-methylpentanoate; MFCD09025712; SCHEMBL13955558; DTXSID60943363; AKOS006343972; FS-4669; Methyl N-(sulfanylidenemethylidene)leucinate; Methyl N-(sulfanylidenemethylidene)-L-leucinate; EN300-1458882; F009535; methyl (2S)-2-isothiocyanato-4-methyl-pentanoate
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
l-2-异硫代氰酰基-4-甲基戊酸甲酯 · CAS 21055-43-6 · C8H13NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: l-2-异硫代氰酰基-4-甲基戊酸甲酯