AC1LX3QI
2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
Also Known As: AK-968/41025040|2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide|2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide|N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea|N-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]-N'-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C18H16ClN3OS3 |
|---|---|
| Molecular Weight | 421.0144 g/mol |
| LogP | 5.00068 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.0144 |
| Monoisotopic Mass | 421.0144 |
| Heavy Atoms | 26 |
| Complexity | 917.1356 |
Chemical Identifiers
| CAS Number | 445239-71-4 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
AC1LX3QI (CAS 445239-71-4), with molecular formula C18H16ClN3OS3 and molecular weight 421.0144 g/mol. IUPAC: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide.
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