2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate
TL;DR: 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate (CAS 10514-39-3) is a chemical compound with molecular formula C11H18N6S2 and molecular weight 298.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-4-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)butan-2-ylideneamino]thiourea thiocyanate
Also Known As: trans-3,5-diphenyl-1-pyrazoline, 1-(3,5-Dimethyl-1H-4-pyrazolyl)-3-butanone thiosemicarbazone thiocyanate, 2-BUTANONE, 4-(3,5-DIMETHYL-4-PYRAZOLYL)-, 3-THIOSEMICARBAZONE, THIOCYANATE, thiocyanic acid compound with (E)-2-(4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylidene)hydrazine-1-carbothioamide (1:1), NSC 91698
Technical Specifications
| Molecular Formula | C11H18N6S2 |
| Molecular Weight | 298.10342 g/mol |
| XLogP | -0.22182 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.10342 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CC1=C([NH+](C=N1)C)CC/C(=N/NC(=S)N)/C.C(#N)[S-] |
| InChIKey | BKQDUNXENJDCMJ-FTPOTTDRSA-N |
Chemical Property Profile of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate
Property Insights of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate
The XLogP value of -0.22182 indicates that 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate. Following Lipinski's Rule of Five, 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate 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
What is the CAS number of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate?
The CAS number of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate is 10514-39-3.
What is the molecular formula of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate?
The molecular formula of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate is C11H18N6S2.
What is the molecular weight of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate?
The molecular weight of 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate is 298.10342 g/mol.
Where can I buy 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate?
You can request a quote for 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate?
Yes, CoreyChem provides custom synthesis services for 2-Butanone, 4-(3,5-dimethyl-4-pyrazolyl)-, 3-thiosemicarbazone, thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.