3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
TL;DR: 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione (CAS 730997-80-5) is a chemical compound with molecular formula C9H8N2S3 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-1,3,4-thiadiazolidine-2,5-dithione
Also Known As: 3-(2-methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione, 3-(2-methylphenyl)-1,3,4-thiadiazolidine-2,5-dithione, 5-mercapto-3-(2-methylphenyl)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C9H8N2S3 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 3.6343 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.98495 |
| Heavy Atoms | 14 |
| Complexity | 561.67633 |
Chemical Identifiers
| CAS Number | 730997-80-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=S)SC(=S)N2 |
Product Overview
3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione (CAS 730997-80-5), with molecular formula C9H8N2S3 and molecular weight 239.98 g/mol. IUPAC: 3-(2-methylphenyl)-1,3,4-thiadiazolidine-2,5-dithione.
Chemical Property Profile of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
Property Insights of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
The XLogP value of 3.6343 indicates that 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione has 1 hydrogen bond donor(s) and 3 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 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The CAS number of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione is 730997-80-5.
What is the molecular formula of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The molecular formula of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione is C9H8N2S3.
What is the molecular weight of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The molecular weight of 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione is 239.98 g/mol.
Where can I buy 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione?
You can request a quote for 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylphenyl)-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.