1-Propanethiol, 2-(butylamino)-
TL;DR: 1-Propanethiol, 2-(butylamino)- (CAS 100911-72-6) is a chemical compound with molecular formula C7H17NS and molecular weight 147.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)propane-1-thiol
Also Known As: 2-(Butylamino)-1-propanethiol, 2-(butylamino)propane-1-thiol, 1-Propanethiol, 2-(butylamino)-, 3-04-00-00738 (Beilstein Handbook Reference), RefChem:1056887
| Molecular Formula | C7H17NS |
|---|---|
| Molecular Weight | 147.11 g/mol |
| LogP | 1.6944 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 147.10817 |
| Heavy Atoms | 9 |
| Complexity | 56.877842 |
Chemical Identifiers
| CAS Number | 100911-72-6 |
|---|---|
| SMILES | CCCCNC(C)CS |
Product Overview
1-Propanethiol, 2-(butylamino)- (CAS 100911-72-6), with molecular formula C7H17NS and molecular weight 147.11 g/mol. IUPAC: 2-(butylamino)propane-1-thiol.
Chemical Property Profile of 1-Propanethiol, 2-(butylamino)-
Property Insights of 1-Propanethiol, 2-(butylamino)-
The XLogP value of 1.6944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanethiol, 2-(butylamino)-. With a topological polar surface area (TPSA) of 12.03 Ų, 1-Propanethiol, 2-(butylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanethiol, 2-(butylamino)- has 2 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 1-Propanethiol, 2-(butylamino)-?
The CAS number of 1-Propanethiol, 2-(butylamino)- is 100911-72-6.
What is the molecular formula of 1-Propanethiol, 2-(butylamino)-?
The molecular formula of 1-Propanethiol, 2-(butylamino)- is C7H17NS.
What is the molecular weight of 1-Propanethiol, 2-(butylamino)-?
The molecular weight of 1-Propanethiol, 2-(butylamino)- is 147.11 g/mol.
Where can I buy 1-Propanethiol, 2-(butylamino)-?
You can request a quote for 1-Propanethiol, 2-(butylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanethiol, 2-(butylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanethiol, 2-(butylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.