4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
TL;DR: 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide (CAS 413573-95-2) is a chemical compound with molecular formula C13H20N2S and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
Also Known As: 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide, AB01332337-02, Benzenecarbothioamide, 4-(diethylamino)-N,N-dimethyl-
| Molecular Formula | C13H20N2S |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 2.7699 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.13472 |
| Heavy Atoms | 16 |
| Complexity | 339.45517 |
Chemical Identifiers
| CAS Number | 413573-95-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=S)N(C)C |
Product Overview
4-(diethylamino)-N,N-dimethylbenzenecarbothioamide (CAS 413573-95-2), with molecular formula C13H20N2S and molecular weight 236.13 g/mol. IUPAC: 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide.
Chemical Property Profile of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
Property Insights of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
The XLogP value of 2.7699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 6.48 Ų, 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide 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 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide?
The CAS number of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide is 413573-95-2.
What is the molecular formula of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide?
The molecular formula of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide is C13H20N2S.
What is the molecular weight of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide?
The molecular weight of 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide is 236.13 g/mol.
Where can I buy 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide?
You can request a quote for 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(diethylamino)-N,N-dimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.