o-Benzyl s-prop-2-en-1-yl carbonodithioate
TL;DR: o-Benzyl s-prop-2-en-1-yl carbonodithioate (CAS 64382-08-7) is a chemical compound with molecular formula C11H12OS2 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-benzyl prop-2-enylsulfanylmethanethioate
Also Known As: o-benzyl s-prop-2-en-1-yl carbonodithioate, O-benzyl prop-2-enylsulfanylmethanethioate, O-Benzyl S-(prop-2-en-1-yl) carbonodithioate, 4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one
| Molecular Formula | C11H12OS2 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.03296 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 64382-08-7 |
|---|---|
| SMILES | C=CCSC(=S)OCC1=CC=CC=C1 |
| InChIKey | KHBYQRNWKXIMBD-UHFFFAOYSA-N |
Product Overview
o-Benzyl s-prop-2-en-1-yl carbonodithioate (CAS 64382-08-7), with molecular formula C11H12OS2 and molecular weight 224.03 g/mol. IUPAC: O-benzyl prop-2-enylsulfanylmethanethioate.
Chemical Property Profile of o-Benzyl s-prop-2-en-1-yl carbonodithioate
Property Insights of o-Benzyl s-prop-2-en-1-yl carbonodithioate
The XLogP value of 3.8 indicates that o-Benzyl s-prop-2-en-1-yl carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Benzyl s-prop-2-en-1-yl carbonodithioate. Following Lipinski's Rule of Five, o-Benzyl s-prop-2-en-1-yl carbonodithioate has 0 hydrogen bond donor(s) and 3 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 o-Benzyl s-prop-2-en-1-yl carbonodithioate?
The CAS number of o-Benzyl s-prop-2-en-1-yl carbonodithioate is 64382-08-7.
What is the molecular formula of o-Benzyl s-prop-2-en-1-yl carbonodithioate?
The molecular formula of o-Benzyl s-prop-2-en-1-yl carbonodithioate is C11H12OS2.
What is the molecular weight of o-Benzyl s-prop-2-en-1-yl carbonodithioate?
The molecular weight of o-Benzyl s-prop-2-en-1-yl carbonodithioate is 224.03 g/mol.
Where can I buy o-Benzyl s-prop-2-en-1-yl carbonodithioate?
You can request a quote for o-Benzyl s-prop-2-en-1-yl carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Benzyl s-prop-2-en-1-yl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for o-Benzyl s-prop-2-en-1-yl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.