2-氯乙基甲基硫醚
TL;DR: 2-氯乙基甲基硫醚 (CAS 542-81-4) is a chemical compound with molecular formula C3H7ClS and molecular weight 110.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙基甲基硫醚
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
| Molecular Formula | C3H7ClS |
|---|---|
| Molecular Weight | 110.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.9957 |
| Heavy Atoms | 5 |
| Complexity | 16.0 |
Chemical Identifiers
| CAS Number | 542-81-4 |
|---|---|
| SMILES | CSCCCl |
| InChIKey | MYFKLQFBFSHBPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯乙基甲基硫醚 (CAS 542-81-4), with molecular formula C3H7ClS and molecular weight 110.00 g/mol. IUPAC: 1-chloro-2-methylsulfanylethane.
Chemical Property Profile of 2-氯乙基甲基硫醚
Property Insights of 2-氯乙基甲基硫醚
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙基甲基硫醚. With a topological polar surface area (TPSA) of 25.3 Ų, 2-氯乙基甲基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯乙基甲基硫醚 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
Frequently Asked Questions
What is the CAS number of 2-氯乙基甲基硫醚?
The CAS number of 2-氯乙基甲基硫醚 is 542-81-4.
What is the molecular formula of 2-氯乙基甲基硫醚?
The molecular formula of 2-氯乙基甲基硫醚 is C3H7ClS.
What is the molecular weight of 2-氯乙基甲基硫醚?
The molecular weight of 2-氯乙基甲基硫醚 is 110.00 g/mol.
Where can I buy 2-氯乙基甲基硫醚?
You can request a quote for 2-氯乙基甲基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯乙基甲基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙基甲基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.