o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate
TL;DR: o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate (CAS 7249-49-2) is a chemical compound with molecular formula C10H5Cl5O2S and molecular weight 363.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) prop-2-enylsulfanylformate
Also Known As: NCIOpen2_007639, o-(pentachlorophenyl) s-prop-2-en-1-yl carbonothioate, O-Pentachlorophenyl S-(prop-2-en-1-yl) carbonothioate, (2,3,4,5,6-pentachlorophenyl) prop-2-enylsulfanylformate
| Molecular Formula | C10H5Cl5O2S |
|---|---|
| Molecular Weight | 363.85 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.84528 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 7249-49-2 |
|---|---|
| SMILES | C=CCSC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | FISRZNWYTVCJBI-UHFFFAOYSA-N |
Product Overview
o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate (CAS 7249-49-2), with molecular formula C10H5Cl5O2S and molecular weight 363.85 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) prop-2-enylsulfanylformate.
Chemical Property Profile of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate
Property Insights of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate
The XLogP value of 6.4 indicates that o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate?
The CAS number of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate is 7249-49-2.
What is the molecular formula of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate?
The molecular formula of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate is C10H5Cl5O2S.
What is the molecular weight of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate?
The molecular weight of o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate is 363.85 g/mol.
Where can I buy o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate?
You can request a quote for o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for o-(Pentachlorophenyl) s-prop-2-en-1-yl carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.