Trichloromethanethiol
TL;DR: Trichloromethanethiol (CAS 409314-70-1) is a chemical compound with molecular formula CHCl3S and molecular weight 149.88646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trichloromethanethiol
Also Known As: Trichloromethanethiol, Captan metabolite, Trichloro-methanethiol, Methanethiol, trichloro-, Perchloromethylmercaptan
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CHCl3S |
| Molecular Weight | 149.88646 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.88646 Da |
| Heavy Atoms | 5 |
| Complexity | 28.0 |
| SMILES | C(S)(Cl)(Cl)Cl |
| InChIKey | ILSVYQNRDXIWLK-UHFFFAOYSA-N |
Product Description
Applications: Trichloromethanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Trichloromethanethiol is a heterocyclic building block identified by CAS number 409314-70-1 and the molecular formula CHCl3S and a molecular weight of 149.89 g/mol. Synonyms include Trichloromethanethiol and Captan metabolite.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trichloromethanethiol
Property Insights of Trichloromethanethiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichloromethanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, Trichloromethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloromethanethiol 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
What is the CAS number of Trichloromethanethiol?
The CAS number of Trichloromethanethiol is 409314-70-1.
What is the molecular formula of Trichloromethanethiol?
The molecular formula of Trichloromethanethiol is CHCl3S.
What is the molecular weight of Trichloromethanethiol?
The molecular weight of Trichloromethanethiol is 149.88646 g/mol.
What are the applications of Trichloromethanethiol?
Trichloromethanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Trichloromethanethiol?
You can request a quote for Trichloromethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichloromethanethiol?
Yes, CoreyChem provides custom synthesis services for Trichloromethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.