S-苯基硫代氯甲酸酯
TL;DR: S-苯基硫代氯甲酸酯 (CAS 13464-19-2) is a chemical compound with molecular formula C7H5ClOS and molecular weight 171.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-苯基硫代氯甲酸酯
S-phenyl chloromethanethioate
Also Known As: Phenyl chlorothioformate, s-phenyl carbonochloridothioate, S-Phenyl chlorothioformate, S-phenyl chloromethanethioate, Phenyl chlorothiolformate
| Molecular Formula | C7H5ClOS |
|---|---|
| Molecular Weight | 171.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.97496 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 13464-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)Cl |
| InChIKey | HBEFYGYBMKPNSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-苯基硫代氯甲酸酯 (CAS 13464-19-2), with molecular formula C7H5ClOS and molecular weight 171.97 g/mol. IUPAC: S-phenyl chloromethanethioate.
Chemical Property Profile of S-苯基硫代氯甲酸酯
Property Insights of S-苯基硫代氯甲酸酯
The XLogP value of 3.3 indicates that S-苯基硫代氯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-苯基硫代氯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-苯基硫代氯甲酸酯 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 S-苯基硫代氯甲酸酯?
The CAS number of S-苯基硫代氯甲酸酯 is 13464-19-2.
What is the molecular formula of S-苯基硫代氯甲酸酯?
The molecular formula of S-苯基硫代氯甲酸酯 is C7H5ClOS.
What is the molecular weight of S-苯基硫代氯甲酸酯?
The molecular weight of S-苯基硫代氯甲酸酯 is 171.97 g/mol.
Where can I buy S-苯基硫代氯甲酸酯?
You can request a quote for S-苯基硫代氯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-苯基硫代氯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for S-苯基硫代氯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.