AC1LD0R1
7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-|7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione|Isothiocyanic acid, (7-ethyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl ester|7-Ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-1H-purine-2,6-dione|7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.079 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.079 |
| Monoisotopic Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 27042-75-7 |
|---|---|
| SMILES | CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S |
| InChIKey | OKQHPTHZOPWENY-UHFFFAOYSA-N |
Product Overview
AC1LD0R1 (CAS 27042-75-7), with molecular formula C11H13N5O2S and molecular weight 279.079 g/mol. IUPAC: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione.