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[(3-Chlorobut-2-en-1-yl)sulfanyl]benzene
TL;DR: [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene (CAS 51637-56-0) is a chemical compound with molecular formula C10H11ClS and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobut-2-enylsulfanylbenzene
Also Known As: 3-chlorobut-2-enylsulfanylbenzene, [(3-chlorobut-2-en-1-yl)sulfanyl]benzene, [(E)-3-chlorobut-2-enyl]sulfanylbenzene, BENZENE,[(3-CHLORO-2-BUTEN-1-YL)THIO]-
| Molecular Formula | C10H11ClS |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.027 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 51637-56-0 |
|---|---|
| SMILES | CC(=CCSC1=CC=CC=C1)Cl |
| InChIKey | YQGCUHPBEMLLOK-UHFFFAOYSA-N |
Product Overview
[(3-Chlorobut-2-en-1-yl)sulfanyl]benzene (CAS 51637-56-0), with molecular formula C10H11ClS and molecular weight 198.03 g/mol. IUPAC: 3-chlorobut-2-enylsulfanylbenzene.
Chemical Property Profile of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene
Property Insights of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene
The XLogP value of 4.2 indicates that [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene 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 [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene?
The CAS number of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene is 51637-56-0.
What is the molecular formula of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene?
The molecular formula of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene is C10H11ClS.
What is the molecular weight of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene?
The molecular weight of [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene is 198.03 g/mol.
Where can I buy [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene?
You can request a quote for [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(3-Chlorobut-2-en-1-yl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.