S-propyl chlorothioformate
TL;DR: S-propyl chlorothioformate (CAS 13889-92-4) is a chemical compound with molecular formula C4H7ClOS and molecular weight 137.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl chloromethanethioate
Also Known As: n-Propyl chlorothioformate, S-PROPYL CHLOROTHIOFORMATE, Propyl chlorothioformate, S-Propyl thiochloroformate, n-Propyl thiochloroformate
| Molecular Formula | C4H7ClOS |
|---|---|
| Molecular Weight | 137.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.99062 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
| Boiling Point | 155 °C |
| Density | 1.053 at 18.9 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 62.2 °C |
| Vapor Pressure | 178.8 mmHg at 37.8 °C |
Chemical Identifiers
| CAS Number | 13889-92-4 |
|---|---|
| SMILES | CCCSC(=O)Cl |
| InChIKey | FYOPSYJKEHWOBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-propyl chlorothioformate (CAS 13889-92-4), with molecular formula C4H7ClOS and molecular weight 137.99 g/mol. IUPAC: S-propyl chloromethanethioate.
Chemical Property Profile of S-propyl chlorothioformate
Property Insights of S-propyl chlorothioformate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-propyl chlorothioformate. With a topological polar surface area (TPSA) of 42.4 Ų, S-propyl chlorothioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-propyl chlorothioformate has 0 hydrogen bond donor(s) and 2 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 S-propyl chlorothioformate?
The CAS number of S-propyl chlorothioformate is 13889-92-4.
What is the molecular formula of S-propyl chlorothioformate?
The molecular formula of S-propyl chlorothioformate is C4H7ClOS.
What is the molecular weight of S-propyl chlorothioformate?
The molecular weight of S-propyl chlorothioformate is 137.99 g/mol.
Where can I buy S-propyl chlorothioformate?
You can request a quote for S-propyl chlorothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-propyl chlorothioformate?
Yes, KEHONG BIO provides custom synthesis services for S-propyl chlorothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.