![6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine structure](/static/products/877/87739-40-0.png)
6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
TL;DR: 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine (CAS 87739-40-0) is a chemical compound with molecular formula C18H21N5S and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
Also Known As: NCIStruc1_001637, NCIStruc2_001964, NCI60_003395, 6,6-dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-[(phenylthio)methyl]phenyl]-
| Molecular Formula | C18H21N5S |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.15176 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 87739-40-0 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=CC(=C2)CSC3=CC=CC=C3)N)N)C |
| InChIKey | HDYMWGSIFNKZLQ-UHFFFAOYSA-N |
Product Overview
6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine (CAS 87739-40-0), with molecular formula C18H21N5S and molecular weight 339.15 g/mol. IUPAC: 6,6-dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
Property Insights of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine. Following Lipinski's Rule of Five, 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine has 2 hydrogen bond donor(s) and 2 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 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The CAS number of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine is 87739-40-0.
What is the molecular formula of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The molecular formula of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine is C18H21N5S.
What is the molecular weight of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The molecular weight of 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine is 339.15 g/mol.
Where can I buy 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine?
You can request a quote for 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.