3,4,5-Trimethoxybenzoyl isothiocyanate
3,4,5-trimethoxybenzoyl isothiocyanate
Also Known As: 3,4,5-Trimethoxybenzoyl isothiocyanate|NCIOpen2_002366|EINECS 230-074-1|Benzoyl isothiocyanate, 3,4,5-trimethoxy-|Benzoyl isothiocyanate,3,4,5-trimethoxy-|230-074-1
CAS: 6939-63-5
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04088 g/mol |
| LogP | 1.96 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 455.4 |
Chemical Identifiers
| CAS Number | 6939-63-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N=C=S |
Product Overview
3,4,5-Trimethoxybenzoyl isothiocyanate (CAS 6939-63-5), with molecular formula C11H11NO4S and molecular weight 253.04088 g/mol. IUPAC: 3,4,5-trimethoxybenzoyl isothiocyanate.
Safety Data Sheet (MSDS / SDS)
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