3-(Dimethylamino)-1-propanethiol
TL;DR: 3-(Dimethylamino)-1-propanethiol (CAS 42302-17-0) is a chemical compound with molecular formula C5H13NS and molecular weight 119.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propane-1-thiol
Also Known As: 3-(dimethylamino)propane-1-thiol, 3-(DIMETHYLAMINO)-1-PROPANETHIOL, 3-dimethylaminopropanethiol, 3-dimethylamino-propanthiol, 3-dimethylaminopropylmercaptan
| Molecular Formula | C5H13NS |
|---|---|
| Molecular Weight | 119.08 g/mol |
| LogP | 0.8679 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.07687 |
| Heavy Atoms | 7 |
| Complexity | 37.061394 |
Chemical Identifiers
| CAS Number | 42302-17-0 |
|---|---|
| SMILES | CN(C)CCCS |
Product Overview
3-(Dimethylamino)-1-propanethiol (CAS 42302-17-0), with molecular formula C5H13NS and molecular weight 119.08 g/mol. IUPAC: 3-(dimethylamino)propane-1-thiol.
Chemical Property Profile of 3-(Dimethylamino)-1-propanethiol
Property Insights of 3-(Dimethylamino)-1-propanethiol
The XLogP value of 0.8679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-propanethiol. With a topological polar surface area (TPSA) of 3.24 Ų, 3-(Dimethylamino)-1-propanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-propanethiol 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-(Dimethylamino)-1-propanethiol?
The CAS number of 3-(Dimethylamino)-1-propanethiol is 42302-17-0.
What is the molecular formula of 3-(Dimethylamino)-1-propanethiol?
The molecular formula of 3-(Dimethylamino)-1-propanethiol is C5H13NS.
What is the molecular weight of 3-(Dimethylamino)-1-propanethiol?
The molecular weight of 3-(Dimethylamino)-1-propanethiol is 119.08 g/mol.
Where can I buy 3-(Dimethylamino)-1-propanethiol?
You can request a quote for 3-(Dimethylamino)-1-propanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-propanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-propanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.