Trichloromethanesulfenyl chloride
TL;DR: Trichloromethanesulfenyl chloride (CAS 594-42-3) is a chemical compound with molecular formula CCl4S and molecular weight 183.84749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trichloromethyl thiohypochlorite
Also Known As: Perchloromethyl mercaptan, Clairsit, Perchloromethylmercaptan, Perchloromethanethiol, Perchlormethylmerkaptan
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CCl4S |
| Molecular Weight | 183.84749 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.84453 Da |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| Boiling Point | 297 to 298 °F at 760 mmHg (EPA, 1998) |
| Density | 1.6947 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Pressure | 25 mmHg at 123.8 °F (EPA, 1998) |
| Refractive Index | INDEX OF REFRACTION: 1.5484 AT 20 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C(SCl)(Cl)(Cl)Cl |
| InChIKey | RYFZYYUIAZYQLC-UHFFFAOYSA-N |
Chemical Property Profile of Trichloromethanesulfenyl chloride
Property Insights of Trichloromethanesulfenyl chloride
The XLogP value of 3.2 indicates that Trichloromethanesulfenyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Trichloromethanesulfenyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloromethanesulfenyl chloride 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
What is the CAS number of Trichloromethanesulfenyl chloride?
The CAS number of Trichloromethanesulfenyl chloride is 594-42-3.
What is the molecular formula of Trichloromethanesulfenyl chloride?
The molecular formula of Trichloromethanesulfenyl chloride is CCl4S.
What is the molecular weight of Trichloromethanesulfenyl chloride?
The molecular weight of Trichloromethanesulfenyl chloride is 183.84749 g/mol.
Where can I buy Trichloromethanesulfenyl chloride?
You can request a quote for Trichloromethanesulfenyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichloromethanesulfenyl chloride?
Yes, CoreyChem provides custom synthesis services for Trichloromethanesulfenyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.