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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 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C10H11NS2 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 3.3102 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.0333 |
| Heavy Atoms | 13 |
| Complexity | 335.45157 |
Chemical Identifiers
| CAS Number | 110766-80-8 |
|---|---|
| SMILES | CC1CC(=S)NC2=CC=CC=C2S1 |
Product Overview
2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione (CAS 110766-80-8), with molecular formula C10H11NS2 and molecular weight 209.03 g/mol. IUPAC: 2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione.
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 3.3102 indicates that 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 209.03 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione?
Yes, KEHONG BIO 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.