AC1MG9SB
methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate|methyl 5-ethyl-2-(3-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)thioureido)thiophene-3-carboxylate|methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate|methyl 5-ethyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H21N3O2S3 |
|---|---|
| Molecular Weight | 395.0796 g/mol |
| LogP | 4.4873 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0796 |
| Monoisotopic Mass | 395.0796 |
| Heavy Atoms | 25 |
| Complexity | 797.15845 |
Chemical Identifiers
| CAS Number | 708237-38-1 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C(=O)OC |
Product Overview
AC1MG9SB (CAS 708237-38-1), with molecular formula C17H21N3O2S3 and molecular weight 395.0796 g/mol. IUPAC: methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate.