三氯甲硫醇
TL;DR: 三氯甲硫醇 (CAS 409314-70-1) is a chemical compound with molecular formula CHCl3S and molecular weight 149.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯甲硫醇
trichloromethanethiol
Also Known As: Trichloromethanethiol, Captan metabolite, Trichloro-methanethiol, Methanethiol, trichloro-, Perchloromethylmercaptan
| Molecular Formula | CHCl3S |
|---|---|
| Molecular Weight | 149.89 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.88646 |
| Heavy Atoms | 5 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 409314-70-1 |
|---|---|
| SMILES | C(S)(Cl)(Cl)Cl |
| InChIKey | ILSVYQNRDXIWLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯甲硫醇 (CAS 409314-70-1), with molecular formula CHCl3S and molecular weight 149.89 g/mol. IUPAC: trichloromethanethiol.
Chemical Property Profile of 三氯甲硫醇
Property Insights of 三氯甲硫醇
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯甲硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 三氯甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯甲硫醇 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 三氯甲硫醇?
The CAS number of 三氯甲硫醇 is 409314-70-1.
What is the molecular formula of 三氯甲硫醇?
The molecular formula of 三氯甲硫醇 is CHCl3S.
What is the molecular weight of 三氯甲硫醇?
The molecular weight of 三氯甲硫醇 is 149.89 g/mol.
Where can I buy 三氯甲硫醇?
You can request a quote for 三氯甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for 三氯甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.