1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one
TL;DR: 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one (CAS 959575-13-4) is a chemical compound with molecular formula C11H13ClO2S2 and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one
Also Known As: 1-chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one, 1-chloro-3-methanesulfinyl-6,6-dimethyl-4,5,6,7-tetrahydro-2-benzothiophen-4-one, 1-chloro-6,6-dimethyl-3-(methylsulfinyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one, 1-Chloro-6,6-dimethyl-3-(methylsulfinyl)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
| Molecular Formula | C11H13ClO2S2 |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 3.294 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.00455 |
| Heavy Atoms | 16 |
| Complexity | 488.41916 |
Chemical Identifiers
| CAS Number | 959575-13-4 |
|---|---|
| SMILES | CC1(CC2=C(SC(=C2C(=O)C1)S(=O)C)Cl)C |
Product Overview
1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one (CAS 959575-13-4), with molecular formula C11H13ClO2S2 and molecular weight 276.00 g/mol. IUPAC: 1-chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one.
Chemical Property Profile of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one
Property Insights of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one
The XLogP value of 3.294 indicates that 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-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 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one?
The CAS number of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one is 959575-13-4.
What is the molecular formula of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one?
The molecular formula of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one is C11H13ClO2S2.
What is the molecular weight of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one?
The molecular weight of 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one is 276.00 g/mol.
Where can I buy 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one?
You can request a quote for 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-6,6-dimethyl-3-methylsulfinyl-5,7-dihydro-2-benzothiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.