3,4,5-trimethoxybenzoyl isothiocyanate (CAS 6939-63-5) — formula C11H11NO4S, molecular weight 253.28; category organic chemicals.
| CAS Number | 6939-63-5 |
|---|---|
| Molecular Formula | C11H11NO4S |
| Molecular Weight | 253.28 |
| LogP | 3.1 |
| Category | Organic Chemicals |
3,4,5-trimethoxybenzoyl isothiocyanate is a carbon-based organic compound with CAS registry number 6939-63-5 and molecular formula C11H11NO4S (molecular weight 253.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6939-63-5
Its molecular formula C11H11NO4S comprises 11 C, 11 H, 1 N, 4 O, 1 S atoms.
Also known as: 3,4,5-trimethoxybenzoyl isothiocyanate · 3,4,5-三甲氧基苯甲酰异硫氰
Category: organic chemicals
The CAS registry number of 3,4,5-trimethoxybenzoyl isothiocyanate is 6939-63-5.
Molecular formula C11H11NO4S, molecular weight 253.28.
It is also registered under: 3,4,5-trimethoxybenzoyl isothiocyanate, 3,4,5-三甲氧基苯甲酰异硫氰.
Category: Organic Chemicals.
Independent reference data for 3,4,5-trimethoxybenzoyl isothiocyanate (CAS 6939-63-5), compiled from public chemistry databases.
| CAS 号 | 6939-63-5 |
|---|---|
| PubChem CID | 81358 |
| 分子式 | C11H11NO4S |
| IUPAC 名称 | 3,4,5-trimethoxybenzoyl isothiocyanate |
| UNII（FDA） | ZVD3EJ8E92 |
| Molecular Weight | 253.28 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 253.04087901 |
| Monoisotopic Mass | 253.04087901 |
| Topological Polar Surface Area | 89.2 |
| Heavy Atom Count | 17 |
3,4,5-Trimethoxybenzoyl isothiocyanate; 6939-63-5; EINECS 230-074-1; DTXSID30219507; NSC 57734; RefChem:90935; DTXCID10141998; 230-074-1; NSC-57734; NSC57734; Benzoyl isothiocyanate, 3,4,5-trimethoxy-; NCIOpen2_002366; ZVD3EJ8E92; SCHEMBL4402084; AKOS008967090; NS00036840
3,4,5-三甲氧基苯甲酰异硫氰 · CAS 6939-63-5 · C11H11NO4S. UNII ZVD3EJ8E92.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,4,5-三甲氧基苯甲酰异硫氰