4-chloro-N,N-dimethylbenzenecarbothioamide
TL;DR: 4-chloro-N,N-dimethylbenzenecarbothioamide (CAS 15563-46-9) is a chemical compound with molecular formula C9H10ClNS and molecular weight 199.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-dimethylbenzenecarbothioamide
Also Known As: 4-chloro-N,N-dimethylbenzenecarbothioamide, 4-Chloro-N,N-dimethylbenZothioamide, 4-Chloro-N,N-dimethyl-benzenecarbothioamide, N,N-Dimethyl-4-chlorothiobenzamide, N,N-Dimethyl-p-chlorobenzothioamide
| Molecular Formula | C9H10ClNS |
|---|---|
| Molecular Weight | 199.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.02225 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 15563-46-9 |
|---|---|
| SMILES | CN(C)C(=S)C1=CC=C(C=C1)Cl |
| InChIKey | ANUVRTDELFGTRW-UHFFFAOYSA-N |
Product Overview
4-chloro-N,N-dimethylbenzenecarbothioamide (CAS 15563-46-9), with molecular formula C9H10ClNS and molecular weight 199.02 g/mol. IUPAC: 4-chloro-N,N-dimethylbenzenecarbothioamide.
Chemical Property Profile of 4-chloro-N,N-dimethylbenzenecarbothioamide
Property Insights of 4-chloro-N,N-dimethylbenzenecarbothioamide
The XLogP value of 3.0 indicates that 4-chloro-N,N-dimethylbenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-chloro-N,N-dimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N,N-dimethylbenzenecarbothioamide 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 4-chloro-N,N-dimethylbenzenecarbothioamide?
The CAS number of 4-chloro-N,N-dimethylbenzenecarbothioamide is 15563-46-9.
What is the molecular formula of 4-chloro-N,N-dimethylbenzenecarbothioamide?
The molecular formula of 4-chloro-N,N-dimethylbenzenecarbothioamide is C9H10ClNS.
What is the molecular weight of 4-chloro-N,N-dimethylbenzenecarbothioamide?
The molecular weight of 4-chloro-N,N-dimethylbenzenecarbothioamide is 199.02 g/mol.
Where can I buy 4-chloro-N,N-dimethylbenzenecarbothioamide?
You can request a quote for 4-chloro-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-chloro-N,N-dimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-dimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.