2,2-Dichloroethane-1-thiol
TL;DR: 2,2-Dichloroethane-1-thiol (CAS 116401-35-5) is a chemical compound with molecular formula C2H4Cl2S and molecular weight 129.94107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloroethanethiol
Also Known As: 2,2-dichloroethanethiol, 2,2-dichloroethane-1-thiol
Technical Specifications
| Molecular Formula | C2H4Cl2S |
| Molecular Weight | 129.94107 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.94107 Da |
| Heavy Atoms | 5 |
| Complexity | 21.0 |
| SMILES | C(C(Cl)Cl)S |
| InChIKey | FHVNWAANLDDQGX-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dichloroethane-1-thiol
Property Insights of 2,2-Dichloroethane-1-thiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloroethane-1-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2,2-Dichloroethane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethane-1-thiol 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 2,2-Dichloroethane-1-thiol?
The CAS number of 2,2-Dichloroethane-1-thiol is 116401-35-5.
What is the molecular formula of 2,2-Dichloroethane-1-thiol?
The molecular formula of 2,2-Dichloroethane-1-thiol is C2H4Cl2S.
What is the molecular weight of 2,2-Dichloroethane-1-thiol?
The molecular weight of 2,2-Dichloroethane-1-thiol is 129.94107 g/mol.
Where can I buy 2,2-Dichloroethane-1-thiol?
You can request a quote for 2,2-Dichloroethane-1-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dichloroethane-1-thiol?
Yes, CoreyChem provides custom synthesis services for 2,2-Dichloroethane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.