6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione
TL;DR: 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione (CAS 175205-44-4) is a chemical compound with molecular formula C10H9ClO3S and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: Maybridge1_007343, 6-Chloro-2-methylthiochroman-4-one 1,1-dioxide, 6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one, 6-chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione, I14-34883
| Molecular Formula | C10H9ClO3S |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 2.0886 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.9961 |
| Heavy Atoms | 15 |
| Complexity | 533.5985 |
Chemical Identifiers
| CAS Number | 175205-44-4 |
|---|---|
| SMILES | CC1CC(=O)C2=C(S1(=O)=O)C=CC(=C2)Cl |
Product Overview
6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione (CAS 175205-44-4), with molecular formula C10H9ClO3S and molecular weight 244.00 g/mol. IUPAC: 6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione
Property Insights of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione
The XLogP value of 2.0886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione. With a topological polar surface area (TPSA) of 51.21 Ų, 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione 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 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione?
The CAS number of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione is 175205-44-4.
What is the molecular formula of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione?
The molecular formula of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione is C10H9ClO3S.
What is the molecular weight of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione?
The molecular weight of 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione is 244.00 g/mol.
Where can I buy 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione?
You can request a quote for 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-methyl-1,2,3,4-tetrahydro-1lambda6-benzothiine-1,1,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.