5-氯-2-甲基苯硫酚
TL;DR: 5-氯-2-甲基苯硫酚 (CAS 5087-20-7) is a chemical compound with molecular formula C7H7ClS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-甲基苯硫酚
5-chloro-2-methylbenzenethiol
Also Known As: 5-Chloro-2-methylthiophenol, 5-chloro-2-methylbenzenethiol, 5-Chloro-2-methyl thiophenol, chloromethylbenzenethiol, Benzenethiol, 5-chloro-2-methyl-
| Molecular Formula | C7H7ClS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.9957 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 5087-20-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)S |
| InChIKey | CKUHTPJQIPSKFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-甲基苯硫酚 (CAS 5087-20-7), with molecular formula C7H7ClS and molecular weight 158.00 g/mol. IUPAC: 5-chloro-2-methylbenzenethiol.
Chemical Property Profile of 5-氯-2-甲基苯硫酚
Property Insights of 5-氯-2-甲基苯硫酚
The XLogP value of 3.8 indicates that 5-氯-2-甲基苯硫酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 5-氯-2-甲基苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-2-甲基苯硫酚 has 1 hydrogen bond donor(s) and 1 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 5-氯-2-甲基苯硫酚?
The CAS number of 5-氯-2-甲基苯硫酚 is 5087-20-7.
What is the molecular formula of 5-氯-2-甲基苯硫酚?
The molecular formula of 5-氯-2-甲基苯硫酚 is C7H7ClS.
What is the molecular weight of 5-氯-2-甲基苯硫酚?
The molecular weight of 5-氯-2-甲基苯硫酚 is 158.00 g/mol.
Where can I buy 5-氯-2-甲基苯硫酚?
You can request a quote for 5-氯-2-甲基苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-甲基苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-甲基苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.