1-(4-Chlorophenyl)sulfanylpropan-2-amine
TL;DR: 1-(4-Chlorophenyl)sulfanylpropan-2-amine (CAS 53662-09-2) is a chemical compound with molecular formula C9H12ClNS and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanylpropan-2-amine
Also Known As: 1-(4-chlorophenyl)sulfanylpropan-2-amine, 1-[(4-chlorophenyl)sulfanyl]propan-2-amine, 1-((4-Chlorophenyl)thio)propan-2-amine, 2-Propanamine, 1-[(4-chlorophenyl)thio]-, 1-[(2-AMINOPROPYL)SULFANYL]-4-CHLOROBENZENE
| Molecular Formula | C9H12ClNS |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0379 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 53662-09-2 |
|---|---|
| SMILES | CC(CSC1=CC=C(C=C1)Cl)N |
| InChIKey | MKEHXNREBXQVOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)sulfanylpropan-2-amine (CAS 53662-09-2), with molecular formula C9H12ClNS and molecular weight 201.04 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanylpropan-2-amine.
Chemical Property Profile of 1-(4-Chlorophenyl)sulfanylpropan-2-amine
Property Insights of 1-(4-Chlorophenyl)sulfanylpropan-2-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)sulfanylpropan-2-amine. With a topological polar surface area (TPSA) of 51.3 Ų, 1-(4-Chlorophenyl)sulfanylpropan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)sulfanylpropan-2-amine 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 1-(4-Chlorophenyl)sulfanylpropan-2-amine?
The CAS number of 1-(4-Chlorophenyl)sulfanylpropan-2-amine is 53662-09-2.
What is the molecular formula of 1-(4-Chlorophenyl)sulfanylpropan-2-amine?
The molecular formula of 1-(4-Chlorophenyl)sulfanylpropan-2-amine is C9H12ClNS.
What is the molecular weight of 1-(4-Chlorophenyl)sulfanylpropan-2-amine?
The molecular weight of 1-(4-Chlorophenyl)sulfanylpropan-2-amine is 201.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)sulfanylpropan-2-amine?
You can request a quote for 1-(4-Chlorophenyl)sulfanylpropan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)sulfanylpropan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)sulfanylpropan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.