Diethylthiocarbamoyl chloride
TL;DR: Diethylthiocarbamoyl chloride (CAS 88-11-9) is a chemical compound with molecular formula C5H10ClNS and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylcarbamothioyl chloride
Also Known As: Diethylthiocarbamoyl chloride, Diethyl thiocarbamoyl chloride, Carbamothioic chloride, diethyl-, N,N-diethylcarbamothioyl chloride, Diethylthiocarbamoylchloride
| Molecular Formula | C5H10ClNS |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.02225 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 88-11-9 |
|---|---|
| SMILES | CCN(CC)C(=S)Cl |
| InChIKey | HUUSTUALCPTCGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylthiocarbamoyl chloride (CAS 88-11-9), with molecular formula C5H10ClNS and molecular weight 151.02 g/mol. IUPAC: N,N-diethylcarbamothioyl chloride.
Chemical Property Profile of Diethylthiocarbamoyl chloride
Property Insights of Diethylthiocarbamoyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylthiocarbamoyl chloride. With a topological polar surface area (TPSA) of 35.3 Ų, Diethylthiocarbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylthiocarbamoyl chloride 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 Diethylthiocarbamoyl chloride?
The CAS number of Diethylthiocarbamoyl chloride is 88-11-9.
What is the molecular formula of Diethylthiocarbamoyl chloride?
The molecular formula of Diethylthiocarbamoyl chloride is C5H10ClNS.
What is the molecular weight of Diethylthiocarbamoyl chloride?
The molecular weight of Diethylthiocarbamoyl chloride is 151.02 g/mol.
Where can I buy Diethylthiocarbamoyl chloride?
You can request a quote for Diethylthiocarbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylthiocarbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Diethylthiocarbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.