1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
TL;DR: 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one (CAS 207307-53-7) is a chemical compound with molecular formula C9H9BrOS2 and molecular weight 275.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
Also Known As: Maybridge1_004973, 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one, 1-bromo-3-(methylsulfanyl)-4,5,6,7-tetrahydro-2-benzothiophen-4-one, 1-bromo-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one, 1-Bromo-3-(methylthio)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
| Molecular Formula | C9H9BrOS2 |
|---|---|
| Molecular Weight | 275.93 g/mol |
| LogP | 3.7515 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.92783 |
| Heavy Atoms | 13 |
| Complexity | 356.74182 |
Chemical Identifiers
| CAS Number | 207307-53-7 |
|---|---|
| SMILES | CSC1=C2C(=C(S1)Br)CCCC2=O |
Product Overview
1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one (CAS 207307-53-7), with molecular formula C9H9BrOS2 and molecular weight 275.93 g/mol. IUPAC: 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one.
Chemical Property Profile of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
Property Insights of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
The XLogP value of 3.7515 indicates that 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-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 17.07 Ų, 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-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-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one?
The CAS number of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one is 207307-53-7.
What is the molecular formula of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one?
The molecular formula of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one is C9H9BrOS2.
What is the molecular weight of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one?
The molecular weight of 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one is 275.93 g/mol.
Where can I buy 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one?
You can request a quote for 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-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-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-bromo-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.