2-Chloroethyl methyl sulfide
TL;DR: 2-Chloroethyl methyl sulfide (CAS 542-81-4) is a chemical compound with molecular formula C3H7ClS and molecular weight 109.9957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-methylsulfanylethane
Also Known As: 2-Chloroethyl methyl sulfide, Hemisulfur mustard, (2-Chloroethyl)(methyl)sulfane, 2-Methylthioethyl chloride, 1-CHLORO-2-(METHYLTHIO)ETHANE
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H7ClS |
| Molecular Weight | 109.9957 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.9957 Da |
| Heavy Atoms | 5 |
| Complexity | 16.0 |
| SMILES | CSCCCl |
| InChIKey | MYFKLQFBFSHBPA-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloroethyl methyl sulfide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Chloroethyl methyl sulfide (CAS 542-81-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Chloroethyl methyl sulfide (CAS 542-81-4) is a heterocyclic building block with the molecular formula C3H7ClS and a molecular weight of 110 g/mol. It is also known as 2-Chloroethyl methyl sulfide and Hemisulfur mustard.
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 2-Chloroethyl methyl sulfide
Property Insights of 2-Chloroethyl methyl sulfide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl methyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Chloroethyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl methyl sulfide has 0 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-Chloroethyl methyl sulfide?
The CAS number of 2-Chloroethyl methyl sulfide is 542-81-4.
What is the molecular formula of 2-Chloroethyl methyl sulfide?
The molecular formula of 2-Chloroethyl methyl sulfide is C3H7ClS.
What is the molecular weight of 2-Chloroethyl methyl sulfide?
The molecular weight of 2-Chloroethyl methyl sulfide is 109.9957 g/mol.
What are the applications of 2-Chloroethyl methyl sulfide?
2-Chloroethyl methyl sulfide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Chloroethyl methyl...
Where can I buy 2-Chloroethyl methyl sulfide?
You can request a quote for 2-Chloroethyl methyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl methyl sulfide?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.