(5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione
TL;DR: (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione (CAS 20042-85-7) is a chemical compound with molecular formula C4H6N2S3 and molecular weight 177.97 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-dithiazolidine-3-thione
Also Known As: 4-methyl-5-methylimino-1,2,4-dithiazolidine-3-thione, (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione, 4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione, (5Z)-4-methyl-5-[(Z)-methylimino]-1,2,4-dithiazolidine-3-thione
| Molecular Formula | C4H6N2S3 |
|---|---|
| Molecular Weight | 177.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.96931 |
| Heavy Atoms | 9 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 20042-85-7 |
|---|---|
| SMILES | CN=C1N(C(=S)SS1)C |
| InChIKey | NTBGCUDCUVQJHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione (CAS 20042-85-7), with molecular formula C4H6N2S3 and molecular weight 177.97 g/mol. IUPAC: 4-methyl-5-methylimino-1,2,4-dithiazolidine-3-thione.
Chemical Property Profile of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione
Property Insights of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione. Following Lipinski's Rule of Five, (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-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
Frequently Asked Questions
What is the CAS number of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione?
The CAS number of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione is 20042-85-7.
What is the molecular formula of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione?
The molecular formula of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione is C4H6N2S3.
What is the molecular weight of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione?
The molecular weight of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione is 177.97 g/mol.
Where can I buy (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione?
You can request a quote for (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.