S-Octyl carbonochloridothioate
TL;DR: S-Octyl carbonochloridothioate (CAS 13889-96-8) is a chemical compound with molecular formula C9H17ClOS and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-octyl chloromethanethioate
Also Known As: S-Octyl chlorothioformate, S-octyl chloromethanethioate, s-octyl carbonochloridothioate, chloro(octylsulfanyl)methanone, Carbonochloridothioicacid,S-octylester
| Molecular Formula | C9H17ClOS |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.06886 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 13889-96-8 |
|---|---|
| SMILES | CCCCCCCCSC(=O)Cl |
| InChIKey | AADUTVXTSYIBNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Octyl carbonochloridothioate (CAS 13889-96-8), with molecular formula C9H17ClOS and molecular weight 208.07 g/mol. IUPAC: S-octyl chloromethanethioate.
Chemical Property Profile of S-Octyl carbonochloridothioate
Property Insights of S-Octyl carbonochloridothioate
The XLogP value of 5.1 indicates that S-Octyl carbonochloridothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Octyl carbonochloridothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Octyl carbonochloridothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Octyl carbonochloridothioate?
The CAS number of S-Octyl carbonochloridothioate is 13889-96-8.
What is the molecular formula of S-Octyl carbonochloridothioate?
The molecular formula of S-Octyl carbonochloridothioate is C9H17ClOS.
What is the molecular weight of S-Octyl carbonochloridothioate?
The molecular weight of S-Octyl carbonochloridothioate is 208.07 g/mol.
Where can I buy S-Octyl carbonochloridothioate?
You can request a quote for S-Octyl carbonochloridothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Octyl carbonochloridothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Octyl carbonochloridothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.