4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide
TL;DR: 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide (CAS 138472-03-4) is a chemical compound with molecular formula C10H11ClN2S and molecular weight 226.03314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide
Also Known As: Maybridge1_001007, 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide, J3.779.692A, 4-chloro-N-[(dimethylamino)methylene]benzenecarbothioamide, 6D-052
Technical Specifications
| Molecular Formula | C10H11ClN2S |
| Molecular Weight | 226.03314 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03314 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | CN(C)C=NC(=S)C1=CC=C(C=C1)Cl |
| InChIKey | AIFFWJRYAQSDQQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide
Property Insights of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide. With a topological polar surface area (TPSA) of 47.7 Ų, 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide 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
What is the CAS number of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide?
The CAS number of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide is 138472-03-4.
What is the molecular formula of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide?
The molecular formula of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide is C10H11ClN2S.
What is the molecular weight of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide?
The molecular weight of 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide is 226.03314 g/mol.
Where can I buy 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide?
You can request a quote for 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-chloro-N-(dimethylaminomethylidene)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.