C13H14N4S
TL;DR: C13H14N4S (CAS 372155-66-3) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl (2E)-2-cyano-2-[(2-methylphenyl)hydrazinylidene]ethanimidothioate
Also Known As: (E)-allyl 2-cyano-2-(2-(o-tolyl)hydrazono)ethanimidothioate, prop-2-en-1-yl (2E)-2-cyano-2-[2-(2-methylphenyl)hydrazinylidene]ethanimidothioate
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.18297 |
| Topological Polar Surface Area | 72.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 513.9677 |
Chemical Identifiers
| CAS Number | 372155-66-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N/N=C(\C#N)/C(=N)SCC=C |
Product Overview
C13H14N4S (CAS 372155-66-3), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: prop-2-enyl (2E)-2-cyano-2-[(2-methylphenyl)hydrazinylidene]ethanimidothioate.
Chemical Property Profile of C13H14N4S
Property Insights of C13H14N4S
The XLogP value of 3.18297 indicates that C13H14N4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.03 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H14N4S. Following Lipinski's Rule of Five, C13H14N4S has 2 hydrogen bond donor(s) and 5 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 C13H14N4S?
The CAS number of C13H14N4S is 372155-66-3.
What is the molecular formula of C13H14N4S?
The molecular formula of C13H14N4S is C13H14N4S.
What is the molecular weight of C13H14N4S?
The molecular weight of C13H14N4S is 258.09 g/mol.
Where can I buy C13H14N4S?
You can request a quote for C13H14N4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H14N4S?
Yes, KEHONG BIO provides custom synthesis services for C13H14N4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.