4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide
TL;DR: 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide (CAS 20042-86-8) is a chemical compound with molecular formula C4H7BrN2S3 and molecular weight 257.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-methylimino-1,2,4-dithiazolidin-4-ium-3-thione bromide
Also Known As: USAF PD-8, 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide, 4-methyl-5-methylimino-1,2,4-dithiazolidin-4-ium-3-thione bromide, 1,2,4-DITHIAZOLIDINE-3-THIONE, 4-METHYL-5-(METHYLIMINO)-, MONOHYDROBROMIDE
| Molecular Formula | C4H7BrN2S3 |
|---|---|
| Molecular Weight | 257.90 g/mol |
| LogP | -2.83 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.89548 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 20042-86-8 |
|---|---|
| SMILES | CN=C1[NH+](C(=S)SS1)C.[Br-] |
| InChIKey | VNRZQMPPRKZBRB-UHFFFAOYSA-N |
Product Overview
4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide (CAS 20042-86-8), with molecular formula C4H7BrN2S3 and molecular weight 257.90 g/mol. IUPAC: 4-methyl-5-methylimino-1,2,4-dithiazolidin-4-ium-3-thione bromide.
Chemical Property Profile of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide
Property Insights of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide
The XLogP value of -2.83 indicates that 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide. Following Lipinski's Rule of Five, 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide has 1 hydrogen bond donor(s) and 5 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-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide?
The CAS number of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide is 20042-86-8.
What is the molecular formula of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide?
The molecular formula of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide is C4H7BrN2S3.
What is the molecular weight of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide?
The molecular weight of 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide is 257.90 g/mol.
Where can I buy 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide?
You can request a quote for 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-methylimino-1,2,4-dithiazolidine-3-thione monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.