InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H
TL;DR: InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H (CAS 105785-03-3) 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.
5-(chloromethylsulfanyl)-3-methyl-1,3,4-thiadiazole-2-thione
Also Known As: 2-[(chloromethyl)thio]-4-methyl-1,3,4-thiadiazoline-5-thione, 5-(chloromethylsulfanyl)-3-methyl-1,3,4-thiadiazole-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 | CN1C(=S)SC(=N1)SCCl |
| InChIKey | AVBYJYVLZWEFCL-UHFFFAOYSA-N |
Chemical Property Profile of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H
Property Insights of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H. Following Lipinski's Rule of Five, InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H 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 InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H?
The CAS number of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H is 105785-03-3.
What is the molecular formula of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H?
The molecular formula of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H is C4H5ClN2S3.
What is the molecular weight of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H?
The molecular weight of InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H is 211.93034 g/mol.
Where can I buy InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H?
You can request a quote for InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H?
Yes, CoreyChem provides custom synthesis services for InChI=1/C4H5ClN2S3/c1-7-4(8)10-3(6-7)9-2-5/h2H2,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.