3-甲硫基丙胺
TL;DR: 3-甲硫基丙胺 (CAS 4104-45-4) is a chemical compound with molecular formula C4H11NS and molecular weight 105.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲硫基丙胺
3-methylsulfanylpropan-1-amine
Also Known As: 3-(Methylthio)propylamine, 3-Methylthiopropylamine, 1-Propanamine, 3-(methylthio)-, 3-Methylthiopropanamine, 3-methylsulfanylpropan-1-amine
| Molecular Formula | C4H11NS |
|---|---|
| Molecular Weight | 105.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 105.06122 |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
| Density | 0.958-0.964 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.489-1.495 |
Chemical Identifiers
| CAS Number | 4104-45-4 |
|---|---|
| SMILES | CSCCCN |
| InChIKey | KKYSBGWCYXYOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲硫基丙胺 (CAS 4104-45-4), with molecular formula C4H11NS and molecular weight 105.06 g/mol. IUPAC: 3-methylsulfanylpropan-1-amine.
Chemical Property Profile of 3-甲硫基丙胺
Property Insights of 3-甲硫基丙胺
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲硫基丙胺. With a topological polar surface area (TPSA) of 51.3 Ų, 3-甲硫基丙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲硫基丙胺 has 1 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 3-甲硫基丙胺?
The CAS number of 3-甲硫基丙胺 is 4104-45-4.
What is the molecular formula of 3-甲硫基丙胺?
The molecular formula of 3-甲硫基丙胺 is C4H11NS.
What is the molecular weight of 3-甲硫基丙胺?
The molecular weight of 3-甲硫基丙胺 is 105.06 g/mol.
Where can I buy 3-甲硫基丙胺?
You can request a quote for 3-甲硫基丙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲硫基丙胺?
Yes, KEHONG BIO provides custom synthesis services for 3-甲硫基丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.