S-methyl 2,4,5-tribromoimidazole-1-carbothioate
TL;DR: S-methyl 2,4,5-tribromoimidazole-1-carbothioate (CAS 102306-53-6) is a chemical compound with molecular formula C5H3Br3N2OS and molecular weight 375.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 2,4,5-tribromoimidazole-1-carbothioate
Also Known As: S-methyl 2,4,5-tribromoimidazole-1-carbothioate, 1H-Imidazole-1-carbothioic acid, 2,4,5-tribromo-, S-methyl ester, Methylsulfanyl-(2,4,5-tribromoimidazol-1-yl)methanone, S-Methyl 2,4,5-tribromo-1H-imidazole-1-carbothioate
| Molecular Formula | C5H3Br3N2OS |
|---|---|
| Molecular Weight | 375.75 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.75162 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 102306-53-6 |
|---|---|
| SMILES | CSC(=O)N1C(=C(N=C1Br)Br)Br |
| InChIKey | NGAJVHGRKAZAHG-UHFFFAOYSA-N |
Product Overview
S-methyl 2,4,5-tribromoimidazole-1-carbothioate (CAS 102306-53-6), with molecular formula C5H3Br3N2OS and molecular weight 375.75 g/mol. IUPAC: S-methyl 2,4,5-tribromoimidazole-1-carbothioate.
Chemical Property Profile of S-methyl 2,4,5-tribromoimidazole-1-carbothioate
Property Insights of S-methyl 2,4,5-tribromoimidazole-1-carbothioate
The XLogP value of 3.9 indicates that S-methyl 2,4,5-tribromoimidazole-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-methyl 2,4,5-tribromoimidazole-1-carbothioate. Following Lipinski's Rule of Five, S-methyl 2,4,5-tribromoimidazole-1-carbothioate has 0 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 S-methyl 2,4,5-tribromoimidazole-1-carbothioate?
The CAS number of S-methyl 2,4,5-tribromoimidazole-1-carbothioate is 102306-53-6.
What is the molecular formula of S-methyl 2,4,5-tribromoimidazole-1-carbothioate?
The molecular formula of S-methyl 2,4,5-tribromoimidazole-1-carbothioate is C5H3Br3N2OS.
What is the molecular weight of S-methyl 2,4,5-tribromoimidazole-1-carbothioate?
The molecular weight of S-methyl 2,4,5-tribromoimidazole-1-carbothioate is 375.75 g/mol.
Where can I buy S-methyl 2,4,5-tribromoimidazole-1-carbothioate?
You can request a quote for S-methyl 2,4,5-tribromoimidazole-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl 2,4,5-tribromoimidazole-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl 2,4,5-tribromoimidazole-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.