1-Chloro-3-(phenylthio)propene
TL;DR: 1-Chloro-3-(phenylthio)propene (CAS 59036-45-2) is a chemical compound with molecular formula C9H9ClS and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroprop-2-enylsulfanylbenzene
Also Known As: 1-chloro-3-(phenylthio)propene, 3-chloroprop-2-enylsulfanylbenzene, [(E)-3-chloroprop-2-enyl]sulfanylbenzene, [(3-chloroprop-2-en-1-yl)sulfanyl]benzene, BENZENE,[(3-CHLORO-2-PROPEN-1-YL)THIO]-
| Molecular Formula | C9H9ClS |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.01135 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 59036-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC=CCl |
| InChIKey | PZAMCTNORLOJBE-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-(phenylthio)propene (CAS 59036-45-2), with molecular formula C9H9ClS and molecular weight 184.01 g/mol. IUPAC: 3-chloroprop-2-enylsulfanylbenzene.
Chemical Property Profile of 1-Chloro-3-(phenylthio)propene
Property Insights of 1-Chloro-3-(phenylthio)propene
The XLogP value of 3.8 indicates that 1-Chloro-3-(phenylthio)propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Chloro-3-(phenylthio)propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(phenylthio)propene has 0 hydrogen bond donor(s) and 1 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-Chloro-3-(phenylthio)propene?
The CAS number of 1-Chloro-3-(phenylthio)propene is 59036-45-2.
What is the molecular formula of 1-Chloro-3-(phenylthio)propene?
The molecular formula of 1-Chloro-3-(phenylthio)propene is C9H9ClS.
What is the molecular weight of 1-Chloro-3-(phenylthio)propene?
The molecular weight of 1-Chloro-3-(phenylthio)propene is 184.01 g/mol.
Where can I buy 1-Chloro-3-(phenylthio)propene?
You can request a quote for 1-Chloro-3-(phenylthio)propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(phenylthio)propene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(phenylthio)propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.