![4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one structure](/static/products/4780/478080-72-7.webp)
4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
TL;DR: 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 478080-72-7) is a chemical compound with molecular formula C8H9NOS2 and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
Also Known As: 8N-331S, 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one, 4-methyl-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one, 4-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one, 3-methyl-6,8-dithia-3-azabicyclo[5.3.0]deca-9,11-dien-2-one
| Molecular Formula | C8H9NOS2 |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 1.9258 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.01256 |
| Heavy Atoms | 12 |
| Complexity | 307.76144 |
Chemical Identifiers
| CAS Number | 478080-72-7 |
|---|---|
| SMILES | CN1CCSC2=C(C1=O)C=CS2 |
Product Overview
4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 478080-72-7), with molecular formula C8H9NOS2 and molecular weight 199.01 g/mol. IUPAC: 4-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one.
Chemical Property Profile of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
Property Insights of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
The XLogP value of 1.9258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one. With a topological polar surface area (TPSA) of 20.31 Ų, 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one has 0 hydrogen bond donor(s) and 3 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 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The CAS number of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 478080-72-7.
What is the molecular formula of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular formula of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is C8H9NOS2.
What is the molecular weight of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular weight of 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 199.01 g/mol.
Where can I buy 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
You can request a quote for 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.