N,N-diethylthioformamide
TL;DR: N,N-diethylthioformamide (CAS 13839-14-0) is a chemical compound with molecular formula C5H11NS and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylmethanethioamide
Also Known As: N,N-diethylthioformamide, N,N-diethylmethanethioamide, methanethioamide, diethyl-, diethyl methanethio amide, Methanethioamide, N,N-diethyl-
| Molecular Formula | C5H11NS |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.06122 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 13839-14-0 |
|---|---|
| SMILES | CCN(CC)C=S |
| InChIKey | QLDXGBQOCBVQMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diethylthioformamide (CAS 13839-14-0), with molecular formula C5H11NS and molecular weight 117.06 g/mol. IUPAC: N,N-diethylmethanethioamide.
Chemical Property Profile of N,N-diethylthioformamide
Property Insights of N,N-diethylthioformamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethylthioformamide. With a topological polar surface area (TPSA) of 35.3 Ų, N,N-diethylthioformamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethylthioformamide 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 N,N-diethylthioformamide?
The CAS number of N,N-diethylthioformamide is 13839-14-0.
What is the molecular formula of N,N-diethylthioformamide?
The molecular formula of N,N-diethylthioformamide is C5H11NS.
What is the molecular weight of N,N-diethylthioformamide?
The molecular weight of N,N-diethylthioformamide is 117.06 g/mol.
Where can I buy N,N-diethylthioformamide?
You can request a quote for N,N-diethylthioformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethylthioformamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethylthioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.