3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE (CAS 21714-25-0) — formula C11H13NO2S, molecular weight 223.29; category organic chemicals.
| CAS Number | 21714-25-0 |
|---|---|
| Molecular Formula | C11H13NO2S |
| Molecular Weight | 223.29 |
| LogP | 3.1 |
| Category | Organic Chemicals |
3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 21714-25-0 and molecular formula C11H13NO2S (molecular weight 223.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21714-25-0
Its molecular formula C11H13NO2S comprises 11 C, 13 H, 1 N, 2 O, 1 S atoms.
Also known as: 3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE · 2-(3,4-二甲氧基苯基)乙基 异硫氰酸酯, 98%
Category: organic chemicals
The CAS registry number of 3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE is 21714-25-0.
Molecular formula C11H13NO2S, molecular weight 223.29.
It is also registered under: 3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE, 2-(3,4-二甲氧基苯基)乙基 异硫氰酸酯, 98%.
Category: Organic Chemicals.
Independent reference data for 3,4-DIMETHOXYPHENETHYL ISOTHIOCYANATE (CAS 21714-25-0), compiled from public chemistry databases.
| CAS 号 | 21714-25-0 |
|---|---|
| PubChem CID | 140856 |
| 分子式 | C11H13NO2S |
| IUPAC 名称 | 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene |
| UNII（FDA） | ST50825741 |
| Molecular Weight | 223.29 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 223.06669983 |
| Monoisotopic Mass | 223.06669983 |
| Topological Polar Surface Area | 62.9 |
| Heavy Atom Count | 15 |
3,4-Dimethoxyphenethyl isothiocyanate; 21714-25-0; DTXSID30176106; RefChem:91184; DTXCID1098597; GHYFLDWHIVKQLS-UHFFFAOYSA-N; 4-(2-Isothiocyanatoethyl)-1,2-dimethoxybenzene; MFCD00041366; 2-(3,4-dimethoxyphenyl)ethanisothiocyanate; Benzene, 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-; 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-benzene; SCHEMBL1973945; SBB096523; AKOS000212351; BP-11159; VS-08635
| 已通报的危害声明 | H302 (80%), H312 (80%), H314 (80%), H315 (20%), H319 (20%), H332 (80%), H335 (20%) |
|---|
2-(3,4-二甲氧基苯基)乙基 异硫氰酸酯, 98% · CAS 21714-25-0 · C11H13NO2S. UNII ST50825741.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.