硫氰酸三氯甲酯
TL;DR: 硫氰酸三氯甲酯 (CAS 20233-04-9) is a chemical compound with molecular formula C2Cl3NS and molecular weight 174.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸三氯甲酯
trichloromethyl thiocyanate
Also Known As: Trichloromethyl thiocyanate, chloroform thiocyanate, Thiocyanic acid, trichloromethyl ester, C2Cl3NS, [(trichloromethyl)sulfanyl]carbonitrile
| Molecular Formula | C2Cl3NS |
|---|---|
| Molecular Weight | 174.88 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.8817 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 20233-04-9 |
|---|---|
| SMILES | C(#N)SC(Cl)(Cl)Cl |
| InChIKey | RMUJSHZJFTWGGN-UHFFFAOYSA-N |
Product Overview
硫氰酸三氯甲酯 (CAS 20233-04-9), with molecular formula C2Cl3NS and molecular weight 174.88 g/mol. IUPAC: trichloromethyl thiocyanate.
Chemical Property Profile of 硫氰酸三氯甲酯
Property Insights of 硫氰酸三氯甲酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸三氯甲酯. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸三氯甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸三氯甲酯 has 0 hydrogen bond donor(s) and 2 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 硫氰酸三氯甲酯?
The CAS number of 硫氰酸三氯甲酯 is 20233-04-9.
What is the molecular formula of 硫氰酸三氯甲酯?
The molecular formula of 硫氰酸三氯甲酯 is C2Cl3NS.
What is the molecular weight of 硫氰酸三氯甲酯?
The molecular weight of 硫氰酸三氯甲酯 is 174.88 g/mol.
Where can I buy 硫氰酸三氯甲酯?
You can request a quote for 硫氰酸三氯甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸三氯甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸三氯甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.