1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-
TL;DR: 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- (CAS 33310-51-9) is a chemical compound with molecular formula C13H23N3S and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-2-N,2-N-di(propan-2-yl)benzene-1,2,3-triamine
Also Known As: 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-, 5-(methylsulfanyl)-n2,n2-di(propan-2-yl)benzene-1,2,3-triamine, 5-methylsulfanyl-N2,N2-dipropan-2-yl-benzene-1,2,3-triamine, 5-methylsulfanyl-2-N,2-N-di(propan-2-yl)benzene-1,2,3-triamine, 5-(Methylsulfanyl)-N~2~,N~2~-di(propan-2-yl)benzene-1,2,3-triamine
| Molecular Formula | C13H23N3S |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.16127 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 33310-51-9 |
|---|---|
| SMILES | CC(C)N(C1=C(C=C(C=C1N)SC)N)C(C)C |
| InChIKey | VVCPWNRJFPRCBW-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- (CAS 33310-51-9), with molecular formula C13H23N3S and molecular weight 253.16 g/mol. IUPAC: 5-methylsulfanyl-2-N,2-N-di(propan-2-yl)benzene-1,2,3-triamine.
Chemical Property Profile of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-
Property Insights of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-. Following Lipinski's Rule of Five, 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- has 2 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 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-?
The CAS number of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- is 33310-51-9.
What is the molecular formula of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-?
The molecular formula of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- is C13H23N3S.
What is the molecular weight of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-?
The molecular weight of 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- is 253.16 g/mol.
Where can I buy 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-?
You can request a quote for 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.