C9H10BrN7O2S
TL;DR: C9H10BrN7O2S (CAS 370074-20-7) is a chemical compound with molecular formula C9H10BrN7O2S and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]thiourea
Also Known As: (E)-2-(2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)ethylidene)hydrazinecarbothioamide
| Molecular Formula | C9H10BrN7O2S |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | -0.9952 |
| Topological Polar Surface Area | 123.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.98 |
| Heavy Atoms | 20 |
| Complexity | 818.036 |
Chemical Identifiers
| CAS Number | 370074-20-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C/C=N/NC(=S)N |
Product Overview
C9H10BrN7O2S (CAS 370074-20-7), with molecular formula C9H10BrN7O2S and molecular weight 358.98 g/mol. IUPAC: [(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]thiourea.
Chemical Property Profile of C9H10BrN7O2S
Property Insights of C9H10BrN7O2S
The XLogP value of -0.9952 indicates that C9H10BrN7O2S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.09 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H10BrN7O2S. Following Lipinski's Rule of Five, C9H10BrN7O2S has 3 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 C9H10BrN7O2S?
The CAS number of C9H10BrN7O2S is 370074-20-7.
What is the molecular formula of C9H10BrN7O2S?
The molecular formula of C9H10BrN7O2S is C9H10BrN7O2S.
What is the molecular weight of C9H10BrN7O2S?
The molecular weight of C9H10BrN7O2S is 358.98 g/mol.
Where can I buy C9H10BrN7O2S?
You can request a quote for C9H10BrN7O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H10BrN7O2S?
Yes, KEHONG BIO provides custom synthesis services for C9H10BrN7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.