C18H16N6OS2
TL;DR: C18H16N6OS2 (CAS 305345-32-8) is a chemical compound with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,2,4-triazol-1-amine
Also Known As: (E)-2-((5-((2-(1H-1,2,4-triazol-1-yl)hydrazono)methyl)-2-methoxybenzyl)thio)benzo[d]thiazole, 2-[(2-methoxy-5-{(E)-[2-(1H-1,2,4-triazol-1-yl)hydrazinylidene]methyl}benzyl)sulfanyl]-1,3-benzothiazole
| Molecular Formula | C18H16N6OS2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.7663 |
| Topological Polar Surface Area | 77.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0827 |
| Heavy Atoms | 27 |
| Complexity | 1027.8572 |
Chemical Identifiers
| CAS Number | 305345-32-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NN2C=NC=N2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
C18H16N6OS2 (CAS 305345-32-8), with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol. IUPAC: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,2,4-triazol-1-amine.
Chemical Property Profile of C18H16N6OS2
Property Insights of C18H16N6OS2
The XLogP value of 3.7663 indicates that C18H16N6OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.22 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16N6OS2. Following Lipinski's Rule of Five, C18H16N6OS2 has 1 hydrogen bond donor(s) and 8 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 C18H16N6OS2?
The CAS number of C18H16N6OS2 is 305345-32-8.
What is the molecular formula of C18H16N6OS2?
The molecular formula of C18H16N6OS2 is C18H16N6OS2.
What is the molecular weight of C18H16N6OS2?
The molecular weight of C18H16N6OS2 is 396.08 g/mol.
Where can I buy C18H16N6OS2?
You can request a quote for C18H16N6OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16N6OS2?
Yes, KEHONG BIO provides custom synthesis services for C18H16N6OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.