TL;DR: N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide (CAS 326873-56-7) is a chemical compound with molecular formula C18H12INOS2 and molecular weight 448.9405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiole-2-carboxamide
Also Known As: N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide, N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiole-2-carboxamide, N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide
| Molecular Formula | C18H12INOS2 |
| Molecular Weight | 448.9405 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.9405 Da |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
| SMILES | CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)I |
| InChIKey | AHTVFRQPHNLBTN-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is 326873-56-7.
The molecular formula of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is C18H12INOS2.
The molecular weight of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is 448.9405 g/mol.
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