N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide
TL;DR: N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide (CAS 156085-92-6) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dimethoxyphenyl)-4-methoxybenzenecarbothioamide
Also Known As: J1.317.207B, N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide, N-(3,4-Dimethoxyphenyl)-4-methoxybenzothioamide, N-(3,4-Dimethoxyphenyl)-4-methoxythiobenzamide, N-(3,4-dimethoxyphenyl)-4-methoxy-benzenecarbothioamide
Technical Specifications
| Molecular Formula | C16H17NO3S |
| Molecular Weight | 303.09293 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.09293 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| SMILES | COC1=CC=C(C=C1)C(=S)NC2=CC(=C(C=C2)OC)OC |
| InChIKey | IIGAVZRMBIVIRR-UHFFFAOYSA-N |
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide
Property Insights of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide
The XLogP value of 3.3 indicates that N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide?
The CAS number of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide is 156085-92-6.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide is C16H17NO3S.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide is 303.09293 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(3,4-dimethoxyphenyl)-4-methoxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.