3-(3-Methylaminopropylamino)propylmercaptan
TL;DR: 3-(3-Methylaminopropylamino)propylmercaptan (CAS 120119-18-8) is a chemical compound with molecular formula CNCCCNCCCS.Cl.Cl and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(methylamino)propylamino]propane-1-thiol;dihydrochloride
Also Known As: 3-(3-Methylaminopropylamino)propylmercaptan, WR 151326, 3-(3-Methylaminopropylamino)propylmercaptan dihydrochloride, 3-[3-(methylamino)propylamino]propane-1-thiol dihydrochloride, 3-[3-(methylamino)propylamino]propane-1-thiol,dihydrochloride
| Molecular Formula | CNCCCNCCCS.Cl.Cl |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 1.349 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.07242 |
| Heavy Atoms | 12 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 120119-18-8 |
|---|---|
| SMILES | CNCCCNCCCS.Cl.Cl |
| InChIKey | JRFHZIKODGKNSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Methylaminopropylamino)propylmercaptan (CAS 120119-18-8), with molecular formula CNCCCNCCCS.Cl.Cl and molecular weight 234.07 g/mol. IUPAC: 3-[3-(methylamino)propylamino]propane-1-thiol;dihydrochloride.
Chemical Property Profile of 3-(3-Methylaminopropylamino)propylmercaptan
Property Insights of 3-(3-Methylaminopropylamino)propylmercaptan
The XLogP value of 1.349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methylaminopropylamino)propylmercaptan. With a topological polar surface area (TPSA) of 25.1 Ų, 3-(3-Methylaminopropylamino)propylmercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methylaminopropylamino)propylmercaptan has 5 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 3-(3-Methylaminopropylamino)propylmercaptan?
The CAS number of 3-(3-Methylaminopropylamino)propylmercaptan is 120119-18-8.
What is the molecular formula of 3-(3-Methylaminopropylamino)propylmercaptan?
The molecular formula of 3-(3-Methylaminopropylamino)propylmercaptan is CNCCCNCCCS.Cl.Cl.
What is the molecular weight of 3-(3-Methylaminopropylamino)propylmercaptan?
The molecular weight of 3-(3-Methylaminopropylamino)propylmercaptan is 234.07 g/mol.
Where can I buy 3-(3-Methylaminopropylamino)propylmercaptan?
You can request a quote for 3-(3-Methylaminopropylamino)propylmercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methylaminopropylamino)propylmercaptan?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylaminopropylamino)propylmercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.