1-Benzothiophene-5-carbonyl chloride
TL;DR: 1-Benzothiophene-5-carbonyl chloride (CAS 1128-89-8) is a chemical compound with molecular formula C9H5ClOS and molecular weight 195.97496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzothiophene-5-carbonyl chloride
Also Known As: 1-benzothiophene-5-carbonyl chloride, Benzo[b]thiophene-5-carbonylchloride, benzo[b]thiophene-5-carbonyl chloride, 1-Benzothiophene-5-carbonylchloride, benzothiophene-5-carbonyl chloride
Technical Specifications
| Molecular Formula | C9H5ClOS |
| Molecular Weight | 195.97496 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.97496 Da |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
| SMILES | C1=CC2=C(C=CS2)C=C1C(=O)Cl |
| InChIKey | YICARPJDZQGVQC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzothiophene-5-carbonyl chloride
Property Insights of 1-Benzothiophene-5-carbonyl chloride
The XLogP value of 3.6 indicates that 1-Benzothiophene-5-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Benzothiophene-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiophene-5-carbonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Benzothiophene-5-carbonyl chloride?
The CAS number of 1-Benzothiophene-5-carbonyl chloride is 1128-89-8.
What is the molecular formula of 1-Benzothiophene-5-carbonyl chloride?
The molecular formula of 1-Benzothiophene-5-carbonyl chloride is C9H5ClOS.
What is the molecular weight of 1-Benzothiophene-5-carbonyl chloride?
The molecular weight of 1-Benzothiophene-5-carbonyl chloride is 195.97496 g/mol.
Where can I buy 1-Benzothiophene-5-carbonyl chloride?
You can request a quote for 1-Benzothiophene-5-carbonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzothiophene-5-carbonyl chloride?
Yes, CoreyChem provides custom synthesis services for 1-Benzothiophene-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.