![2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione structure](/static/products/1107/110766-80-8.webp)
2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione
TL;DR: 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione (CAS 110766-80-8) is a chemical compound with molecular formula C10H11NS2 and molecular weight 209.0333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Also Known As: 2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-thione, 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione, 2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione, 2-methyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione, AJ-091/33279048
Technical Specifications
| Molecular Formula | C10H11NS2 |
| Molecular Weight | 209.0333 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.0333 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CC1CC(=S)NC2=CC=CC=C2S1 |
| InChIKey | GQCBKKJNNAUWNC-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione
Property Insights of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione. Following Lipinski's Rule of Five, 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
The CAS number of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione is 110766-80-8.
What is the molecular formula of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
The molecular formula of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione is C10H11NS2.
What is the molecular weight of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
The molecular weight of 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione is 209.0333 g/mol.
Where can I buy 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
You can request a quote for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
Yes, CoreyChem provides custom synthesis services for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.