4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide
TL;DR: 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide (CAS 425646-68-0) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
Also Known As: 4-(3-methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide, 1,2,5-Thiadiazol-3-amine,4,5-dihydro-4- -,1,1-dioxide, 3-imino-4-(m-tolyl)-1,2,5-thiadiazolidine 1,1-dioxide, 4-Amino-3-(m-tolyl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide, 4-Amino-3-(m-tolyl)-2,3-dihydro-1,2,5-thiadiazole1,1-dioxide
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 0.24132 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 521.91394 |
Chemical Identifiers
| CAS Number | 425646-68-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2C(=NS(=O)(=O)N2)N |
Product Overview
4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide (CAS 425646-68-0), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: 3-(3-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine.
Chemical Property Profile of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide
Property Insights of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide
The XLogP value of 0.24132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide. Following Lipinski's Rule of Five, 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide has 2 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 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide?
The CAS number of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide is 425646-68-0.
What is the molecular formula of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide?
The molecular formula of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide is C9H11N3O2S.
What is the molecular weight of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide?
The molecular weight of 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide is 225.06 g/mol.
Where can I buy 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide?
You can request a quote for 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.