C9H16ClN5OS2
TL;DR: C9H16ClN5OS2 (CAS 1046757-50-9) is a chemical compound with molecular formula C9H16ClN5OS2 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
Also Known As: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Hydrochloride, 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-1-(4-methylpiperazin-1-yl)ethanone hydrochloride
| Molecular Formula | C9H16ClN5OS2 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 0.4082 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.0485 |
| Heavy Atoms | 18 |
| Complexity | 394.06464 |
Chemical Identifiers
| CAS Number | 1046757-50-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=NN=C(S2)N.Cl |
Product Overview
C9H16ClN5OS2 (CAS 1046757-50-9), with molecular formula C9H16ClN5OS2 and molecular weight 309.05 g/mol. IUPAC: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.
Chemical Property Profile of C9H16ClN5OS2
Property Insights of C9H16ClN5OS2
The XLogP value of 0.4082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H16ClN5OS2. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H16ClN5OS2. Following Lipinski's Rule of Five, C9H16ClN5OS2 has 1 hydrogen bond donor(s) and 7 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 C9H16ClN5OS2?
The CAS number of C9H16ClN5OS2 is 1046757-50-9.
What is the molecular formula of C9H16ClN5OS2?
The molecular formula of C9H16ClN5OS2 is C9H16ClN5OS2.
What is the molecular weight of C9H16ClN5OS2?
The molecular weight of C9H16ClN5OS2 is 309.05 g/mol.
Where can I buy C9H16ClN5OS2?
You can request a quote for C9H16ClN5OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H16ClN5OS2?
Yes, KEHONG BIO provides custom synthesis services for C9H16ClN5OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.