Phenylthiopropylamine
TL;DR: Phenylthiopropylamine (CAS 2015-09-0) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanylpropan-1-amine
Also Known As: Phenylthiopropylamine, 3-(phenylthio)-1-propanamine, 1-Propanamine, 3-(phenylthio)-, 3-phenylsulfanylpropan-1-amine, 3-(phenylsulfanyl)propan-1-amine
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2015-09-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCCN |
| InChIKey | XJESCJCYQFZYDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylthiopropylamine (CAS 2015-09-0), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 3-phenylsulfanylpropan-1-amine.
Chemical Property Profile of Phenylthiopropylamine
Property Insights of Phenylthiopropylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiopropylamine. With a topological polar surface area (TPSA) of 51.3 Ų, Phenylthiopropylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylthiopropylamine 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 Phenylthiopropylamine?
The CAS number of Phenylthiopropylamine is 2015-09-0.
What is the molecular formula of Phenylthiopropylamine?
The molecular formula of Phenylthiopropylamine is C9H13NS.
What is the molecular weight of Phenylthiopropylamine?
The molecular weight of Phenylthiopropylamine is 167.08 g/mol.
Where can I buy Phenylthiopropylamine?
You can request a quote for Phenylthiopropylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthiopropylamine?
Yes, KEHONG BIO provides custom synthesis services for Phenylthiopropylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.