S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate
TL;DR: S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate (CAS 26962-80-1) is a chemical compound with molecular formula C12H11ClN4OS and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate
Also Known As: S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate, S-benzyl 3,5-diamino-6-chloro-pyrazine-2-carbothioate, 2-Pyrazinecarbothioicacid, 3,5-diamino-6-chloro-, S-(phenylmethyl) ester
| Molecular Formula | C12H11ClN4OS |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0342 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 26962-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)C2=C(N=C(C(=N2)Cl)N)N |
| InChIKey | CIJPHKOGXSYHAT-UHFFFAOYSA-N |
Product Overview
S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate (CAS 26962-80-1), with molecular formula C12H11ClN4OS and molecular weight 294.03 g/mol. IUPAC: S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate.
Chemical Property Profile of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate
Property Insights of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate. Following Lipinski's Rule of Five, S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate has 2 hydrogen bond donor(s) and 6 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-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate?
The CAS number of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate is 26962-80-1.
What is the molecular formula of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate?
The molecular formula of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate is C12H11ClN4OS.
What is the molecular weight of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate?
The molecular weight of S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate is 294.03 g/mol.
Where can I buy S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate?
You can request a quote for S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-benzyl 3,5-diamino-6-chloropyrazine-2-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.