3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CAS 97416-80-3) — formula C25H15ClN2OS, molecular weight 426.9; category organic chemicals.
| CAS Number | 97416-80-3 |
|---|---|
| Molecular Formula | C25H15ClN2OS |
| Molecular Weight | 426.9 |
| LogP | 7 |
| Applications | General Manufacturing Information: 7H-Benzimidazo[2, 1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 7H-Benzimidazo[2, 1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-: INACTIVE.
3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is a carbon-based organic compound with CAS registry number 97416-80-3 and molecular formula C25H15ClN2OS (molecular weight 426.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97416-80-3
Its molecular formula C25H15ClN2OS comprises 25 C, 15 H, 1 Cl, 2 N, 1 O, 1 S atoms.
Also known as: 3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one · 3-[(4-氯苯基)硫基]-11-甲基-7H-苯并咪唑并[2,1-a]苯并[去]异喹啉-7-酮
Category: organic chemicals
The CAS registry number of 3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is 97416-80-3.
Molecular formula C25H15ClN2OS, molecular weight 426.9.
It is also registered under: 3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-[(4-氯苯基)硫基]-11-甲基-7H-苯并咪唑并[2,1-a]苯并[去]异喹啉-7-酮.
Recorded applications: General Manufacturing Information: 7H-Benzimidazo[2, 1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CAS 97416-80-3), compiled from public chemistry databases.
| CAS 号 | 97416-80-3 |
|---|---|
| PubChem CID | 3034849 |
| 分子式 | C25H15ClN2OS |
| IUPAC 名称 | 17-(4-chlorophenyl)sulfanyl-6-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one |
| UNII（FDA） | NS00036405 |
| Molecular Weight | 426.9 |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 426.0593620 |
| Monoisotopic Mass | 426.0593620 |
| Topological Polar Surface Area | 60.2 |
| Heavy Atom Count | 30 |
EINECS 268-468-0; 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-; 68092-70-6; DTXSID1071084; 3(4)-((4-Chlorophenyl)thio)-11-methyl-7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinoline; 3(Or 4)-((4-chlorophenyl)thio)-11-methyl-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-one; 7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one, 3(or 4)-((4-chlorophenyl)thio)-11-methyl-; 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one; RefChem:547100; DTXCID8045517; 268-468-0; 97416-80-3; 3-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one; 3-((4-Chlorophenyl)thio)-11-methyl-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one; 3-((4-Chlorophenyl)thio)-11-methyl-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-one; EINECS 306-828-1
3-[(4-氯苯基)硫基]-11-甲基-7H-苯并咪唑并[2,1-a]苯并[去]异喹啉-7-酮 · CAS 97416-80-3 · C25H15ClN2OS. UNII NS00036405.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.