全氯甲硫醇
TL;DR: 全氯甲硫醇 (CAS 594-42-3) is a chemical compound with molecular formula CCl4S and molecular weight 183.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
全氯甲硫醇
trichloromethyl thiohypochlorite
Also Known As: Perchloromethyl mercaptan, Clairsit, Perchloromethylmercaptan, Perchloromethanethiol, Perchlormethylmerkaptan
| Molecular Formula | CCl4S |
|---|---|
| Molecular Weight | 183.85 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.84453 |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| Boiling Point | 297 to 147.8 °C at 760 mmHg |
| Density | 1.6947 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 25 mmHg at 51.0 °C |
| Refractive Index | 1.5484 AT 20 °C |
Chemical Identifiers
| CAS Number | 594-42-3 |
|---|---|
| SMILES | C(SCl)(Cl)(Cl)Cl |
| InChIKey | RYFZYYUIAZYQLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
全氯甲硫醇 (CAS 594-42-3), with molecular formula CCl4S and molecular weight 183.85 g/mol. IUPAC: trichloromethyl thiohypochlorite.
Chemical Property Profile of 全氯甲硫醇
Property Insights of 全氯甲硫醇
The XLogP value of 3.2 indicates that 全氯甲硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 全氯甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 全氯甲硫醇 has 0 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 全氯甲硫醇?
The CAS number of 全氯甲硫醇 is 594-42-3.
What is the molecular formula of 全氯甲硫醇?
The molecular formula of 全氯甲硫醇 is CCl4S.
What is the molecular weight of 全氯甲硫醇?
The molecular weight of 全氯甲硫醇 is 183.85 g/mol.
Where can I buy 全氯甲硫醇?
You can request a quote for 全氯甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 全氯甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for 全氯甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.