3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione
TL;DR: 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione (CAS 105785-02-2) is a chemical compound with molecular formula C4H5ClN2S3 and molecular weight 211.93034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(chloromethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Also Known As: 3-(chloromethyl)-5-(methylthio)-1,3,4-thiadiazoline-2-thione, 3-(chloromethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione, 3-(chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione
Technical Specifications
| Molecular Formula | C4H5ClN2S3 |
| Molecular Weight | 211.93034 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 98.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.93034 Da |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
| SMILES | CSC1=NN(C(=S)S1)CCl |
| InChIKey | KGODTXFFRHFQQK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione
Property Insights of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione?
The CAS number of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione is 105785-02-2.
What is the molecular formula of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione?
The molecular formula of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione is C4H5ClN2S3.
What is the molecular weight of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione?
The molecular weight of 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione is 211.93034 g/mol.
Where can I buy 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione?
You can request a quote for 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione?
Yes, CoreyChem provides custom synthesis services for 3-(Chloromethyl)-5-methylthio-1,3,4-thiadiazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.