C21H23ClN2O3S3
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: A3256/0138370|methyl 2-(3-(2-chloro-5-(methylthio)benzoyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|METHYL 2-[({[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-[({[2-chloro-5-(methylsulfanyl)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C21H23ClN2O3S3 |
|---|---|
| Molecular Weight | 482.05594 g/mol |
| LogP | 5.6958 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.05594 |
| Monoisotopic Mass | 482.05594 |
| Heavy Atoms | 30 |
| Complexity | 974.6465 |
Chemical Identifiers
| CAS Number | 577698-12-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl |
Product Overview
C21H23ClN2O3S3 (CAS 577698-12-5), with molecular formula C21H23ClN2O3S3 and molecular weight 482.05594 g/mol. IUPAC: methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.