N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine
TL;DR: N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine (CAS 115370-81-5) is a chemical compound with molecular formula C12H15N5S and molecular weight 261.10483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine
Also Known As: 2-Butanone,2-(4,5-dihydro-5-imino-4-phenyl-1,2,4-thiadiazol-3-yl)hydrazone, 5-Imino-4-phenyl-1,2,4-thiadiazolidin-3-one (1-methylpropylidene)hydrazone, 1,2,4-Thiadiazolidin-3-one, 5-imino-4-phenyl-, (1-methylpropylidene)hydrazone
Technical Specifications
| Molecular Formula | C12H15N5S |
| Molecular Weight | 261.10483 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.10483 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CCC(=NNC1=NSC(=N)N1C2=CC=CC=C2)C |
| InChIKey | CUMAJRQSJZWUEN-UHFFFAOYSA-N |
Chemical Property Profile of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine
Property Insights of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine. Following Lipinski's Rule of Five, N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine 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 N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine?
The CAS number of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine is 115370-81-5.
What is the molecular formula of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine?
The molecular formula of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine is C12H15N5S.
What is the molecular weight of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine?
The molecular weight of N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine is 261.10483 g/mol.
Where can I buy N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine?
You can request a quote for N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine?
Yes, CoreyChem provides custom synthesis services for N-(butan-2-ylideneamino)-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.