RefChem:1087841
TL;DR: RefChem:1087841 (CAS 3683-51-0) is a chemical compound with molecular formula C7H9BrIN4S2- and molecular weight 418.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]carbamimidothioate iodide
Also Known As: Isothiazole-5-carboxaldehyde, 4-bromo-3-methyl-, S-methyl-4-isothiosemicarbazone, hydroiodide, 4-Bromo-3-methylisothiazole-5-carboxaldehyde S-methyl-4-isothiosemicarbazone hydroiodide, ISOTHIAZOLE-5-CARBOXALDEHYDE, 4-BROMO-3-METHYL-, S-METHYL-4-ISOTHIOSEMICARBAZONE, Carbazimidic acid, 3-[(4-bromo-3-methyl-5-isothiazolyl)methylene]thio-, methyl ester, monohydriodide, RefChem:1087841
| Molecular Formula | C7H9BrIN4S2- |
|---|---|
| Molecular Weight | 418.85 g/mol |
| LogP | -0.77038 |
| Topological Polar Surface Area | 63.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.84967 |
| Heavy Atoms | 15 |
| Complexity | 377.06714 |
Chemical Identifiers
| CAS Number | 3683-51-0 |
|---|---|
| SMILES | CC1=NSC(=C1Br)/C=N/N=C(/N)\SC.[I-] |
Product Overview
RefChem:1087841 (CAS 3683-51-0), with molecular formula C7H9BrIN4S2- and molecular weight 418.85 g/mol. IUPAC: methyl N'-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]carbamimidothioate iodide.
Chemical Property Profile of RefChem:1087841
Property Insights of RefChem:1087841
The XLogP value of -0.77038 indicates that RefChem:1087841 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1087841. Following Lipinski's Rule of Five, RefChem:1087841 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 RefChem:1087841?
The CAS number of RefChem:1087841 is 3683-51-0.
What is the molecular formula of RefChem:1087841?
The molecular formula of RefChem:1087841 is C7H9BrIN4S2-.
What is the molecular weight of RefChem:1087841?
The molecular weight of RefChem:1087841 is 418.85 g/mol.
Where can I buy RefChem:1087841?
You can request a quote for RefChem:1087841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087841?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.