AC1NBDDD
methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[({2-[(4-tert-butylphenyl)sulfonyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{[(2-{[4-(tert-butyl)phenyl]sulfonyl}hydrazino)thioxomethyl]amino}-4, 5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H27N3O4S3 |
|---|---|
| Molecular Weight | 481.11636 g/mol |
| LogP | 3.8909 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.11636 |
| Monoisotopic Mass | 481.11636 |
| Heavy Atoms | 31 |
| Complexity | 1084.3086 |
Chemical Identifiers
| CAS Number | 590357-59-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
AC1NBDDD (CAS 590357-59-8), with molecular formula C21H27N3O4S3 and molecular weight 481.11636 g/mol. IUPAC: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.