4-(Propylthio)benzene-1,2-diamine
TL;DR: 4-(Propylthio)benzene-1,2-diamine (CAS 57780-76-4) is a chemical compound with molecular formula C9H14N2S and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propylsulfanylbenzene-1,2-diamine
Also Known As: Febuxosta, 4-(Propylthio)benzene-1,2-diamine, 4-Propylthio-1,2-phenylenediamine, Albendazole Impurity 1, 4-propylsulfanylbenzene-1,2-diamine
| Molecular Formula | C9H14N2S |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.3531 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08777 |
| Heavy Atoms | 12 |
| Complexity | 260.70547 |
Chemical Identifiers
| CAS Number | 57780-76-4 |
|---|---|
| SMILES | CCCSC1=CC(=C(C=C1)N)N |
Product Overview
4-(Propylthio)benzene-1,2-diamine (CAS 57780-76-4), with molecular formula C9H14N2S and molecular weight 182.09 g/mol. IUPAC: 4-propylsulfanylbenzene-1,2-diamine.
Chemical Property Profile of 4-(Propylthio)benzene-1,2-diamine
Property Insights of 4-(Propylthio)benzene-1,2-diamine
The XLogP value of 2.3531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propylthio)benzene-1,2-diamine. With a topological polar surface area (TPSA) of 52.04 Ų, 4-(Propylthio)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propylthio)benzene-1,2-diamine has 2 hydrogen bond donor(s) and 3 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 4-(Propylthio)benzene-1,2-diamine?
The CAS number of 4-(Propylthio)benzene-1,2-diamine is 57780-76-4.
What is the molecular formula of 4-(Propylthio)benzene-1,2-diamine?
The molecular formula of 4-(Propylthio)benzene-1,2-diamine is C9H14N2S.
What is the molecular weight of 4-(Propylthio)benzene-1,2-diamine?
The molecular weight of 4-(Propylthio)benzene-1,2-diamine is 182.09 g/mol.
Where can I buy 4-(Propylthio)benzene-1,2-diamine?
You can request a quote for 4-(Propylthio)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propylthio)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propylthio)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.