RefChem:1052059
TL;DR: RefChem:1052059 (CAS 115370-87-1) is a chemical compound with molecular formula C13H17N5S and molecular weight 275.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-butan-2-ylideneamino]-5-imino-4-(3-methylphenyl)-1,2,4-thiadiazol-3-amine
Also Known As: 1,2,4-Thiadiazolidin-3-one, 5-imino-4-(3-methylphenyl)-, (1-methylpropylidene)hydrazone, 5-Imino-4-(3-methylphenyl)-1,2,4-thiadiazolidin-3-one (1-methylpropylidene)hydrazone
Technical Specifications
| Molecular Formula | C13H17N5S |
| Molecular Weight | 275.12045 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.12045 Da |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
| SMILES | CC/C(=N/NC1=NSC(=N)N1C2=CC=CC(=C2)C)/C |
| InChIKey | WZXFTUJUPLBIIA-GZJXCLNASA-N |
Chemical Property Profile of RefChem:1052059
Property Insights of RefChem:1052059
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1052059. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052059. Following Lipinski's Rule of Five, RefChem:1052059 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1052059?
The CAS number of RefChem:1052059 is 115370-87-1.
What is the molecular formula of RefChem:1052059?
The molecular formula of RefChem:1052059 is C13H17N5S.
What is the molecular weight of RefChem:1052059?
The molecular weight of RefChem:1052059 is 275.12045 g/mol.
Where can I buy RefChem:1052059?
You can request a quote for RefChem:1052059 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1052059?
Yes, CoreyChem provides custom synthesis services for RefChem:1052059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.