三氟甲硫醇
TL;DR: 三氟甲硫醇 (CAS 1493-15-8) is a chemical compound with molecular formula CHF3S and molecular weight 101.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲硫醇
trifluoromethanethiol
Also Known As: Trifluoromethanethiol, Perfluoromethanethiol, Methanethiol, trifluoro-, trifluoromethylthiol, Trifluoromethylmercaptan
| Molecular Formula | CHF3S |
|---|---|
| Molecular Weight | 101.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.975105 |
| Heavy Atoms | 5 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 1493-15-8 |
|---|---|
| SMILES | C(F)(F)(F)S |
| InChIKey | MFLLMKMFWIUACU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟甲硫醇 (CAS 1493-15-8), with molecular formula CHF3S and molecular weight 101.98 g/mol. IUPAC: trifluoromethanethiol.
Chemical Property Profile of 三氟甲硫醇
Property Insights of 三氟甲硫醇
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟甲硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 三氟甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟甲硫醇 has 1 hydrogen bond donor(s) and 4 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 三氟甲硫醇?
The CAS number of 三氟甲硫醇 is 1493-15-8.
What is the molecular formula of 三氟甲硫醇?
The molecular formula of 三氟甲硫醇 is CHF3S.
What is the molecular weight of 三氟甲硫醇?
The molecular weight of 三氟甲硫醇 is 101.98 g/mol.
Where can I buy 三氟甲硫醇?
You can request a quote for 三氟甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.