4-(甲硫基)苯甲酰氯
TL;DR: 4-(甲硫基)苯甲酰氯 (CAS 1442-06-4) is a chemical compound with molecular formula C8H7ClOS and molecular weight 185.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(甲硫基)苯甲酰氯
4-methylsulfanylbenzoyl chloride
Also Known As: 4-(Methylthio)benzoyl chloride, 4-methylsulfanylbenzoyl chloride, benzoyl chloride, 4-(methylthio)-, p-(methylthio)benzoyl chloride, 4- BENZOYLCHLORIDE95
| Molecular Formula | C8H7ClOS |
|---|---|
| Molecular Weight | 185.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.99062 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 1442-06-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | MIEJPWILCQAQKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(甲硫基)苯甲酰氯 (CAS 1442-06-4), with molecular formula C8H7ClOS and molecular weight 185.99 g/mol. IUPAC: 4-methylsulfanylbenzoyl chloride.
Chemical Property Profile of 4-(甲硫基)苯甲酰氯
Property Insights of 4-(甲硫基)苯甲酰氯
The XLogP value of 3.7 indicates that 4-(甲硫基)苯甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 4-(甲硫基)苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(甲硫基)苯甲酰氯 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
Frequently Asked Questions
What is the CAS number of 4-(甲硫基)苯甲酰氯?
The CAS number of 4-(甲硫基)苯甲酰氯 is 1442-06-4.
What is the molecular formula of 4-(甲硫基)苯甲酰氯?
The molecular formula of 4-(甲硫基)苯甲酰氯 is C8H7ClOS.
What is the molecular weight of 4-(甲硫基)苯甲酰氯?
The molecular weight of 4-(甲硫基)苯甲酰氯 is 185.99 g/mol.
Where can I buy 4-(甲硫基)苯甲酰氯?
You can request a quote for 4-(甲硫基)苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(甲硫基)苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-(甲硫基)苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.