C14H14N6S
TL;DR: C14H14N6S (CAS 956730-71-5) is a chemical compound with molecular formula C14H14N6S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(1E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-azavinyl]-1,2,4-triazole-3-thi ol, (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H14N6S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.62543 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.10007 |
| Heavy Atoms | 21 |
| Complexity | 839.97894 |
Chemical Identifiers
| CAS Number | 956730-71-5 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3C=NNC3=S |
Product Overview
C14H14N6S (CAS 956730-71-5), with molecular formula C14H14N6S and molecular weight 298.10 g/mol. IUPAC: 4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C14H14N6S
Property Insights of C14H14N6S
The XLogP value of 2.62543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H14N6S. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H14N6S. Following Lipinski's Rule of Five, C14H14N6S has 1 hydrogen bond donor(s) and 4 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 C14H14N6S?
The CAS number of C14H14N6S is 956730-71-5.
What is the molecular formula of C14H14N6S?
The molecular formula of C14H14N6S is C14H14N6S.
What is the molecular weight of C14H14N6S?
The molecular weight of C14H14N6S is 298.10 g/mol.
Where can I buy C14H14N6S?
You can request a quote for C14H14N6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H14N6S?
Yes, KEHONG BIO provides custom synthesis services for C14H14N6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.