4-(Methylsulfanyl)butane-1,2-diamine
TL;DR: 4-(Methylsulfanyl)butane-1,2-diamine (CAS 68013-51-4) is a chemical compound with molecular formula C5H14N2S and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylbutane-1,2-diamine
Also Known As: 4-(Methylsulfanyl)butane-1,2-diamine, 4-methylsulfanylbutane-1,2-diamine, (2S)-4-(methylsulfanyl)butane-1,2-diamine
| Molecular Formula | C5H14N2S |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | 0.0255 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.08777 |
| Heavy Atoms | 8 |
| Complexity | 49.69333 |
Chemical Identifiers
| CAS Number | 68013-51-4 |
|---|---|
| SMILES | CSCCC(CN)N |
Product Overview
4-(Methylsulfanyl)butane-1,2-diamine (CAS 68013-51-4), with molecular formula C5H14N2S and molecular weight 134.09 g/mol. IUPAC: 4-methylsulfanylbutane-1,2-diamine.
Chemical Property Profile of 4-(Methylsulfanyl)butane-1,2-diamine
Property Insights of 4-(Methylsulfanyl)butane-1,2-diamine
The XLogP value of 0.0255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanyl)butane-1,2-diamine. With a topological polar surface area (TPSA) of 52.04 Ų, 4-(Methylsulfanyl)butane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)butane-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-(Methylsulfanyl)butane-1,2-diamine?
The CAS number of 4-(Methylsulfanyl)butane-1,2-diamine is 68013-51-4.
What is the molecular formula of 4-(Methylsulfanyl)butane-1,2-diamine?
The molecular formula of 4-(Methylsulfanyl)butane-1,2-diamine is C5H14N2S.
What is the molecular weight of 4-(Methylsulfanyl)butane-1,2-diamine?
The molecular weight of 4-(Methylsulfanyl)butane-1,2-diamine is 134.09 g/mol.
Where can I buy 4-(Methylsulfanyl)butane-1,2-diamine?
You can request a quote for 4-(Methylsulfanyl)butane-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-(Methylsulfanyl)butane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)butane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.