2,4-Dimethylbenzenecarbothioamide
TL;DR: 2,4-Dimethylbenzenecarbothioamide (CAS 57182-70-4) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylbenzenecarbothioamide
Also Known As: 2,4-dimethylbenzenecarbothioamide, 2,4-dimethylthiobenzamide, 2,4-dimethylbenzene-1-carbothioamide, 2,4-Dimethylbenzothioamide, 2,4-dimethyl-thiobenzamide
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 1.93764 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 291.61426 |
Chemical Identifiers
| CAS Number | 57182-70-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=S)N)C |
Product Overview
2,4-Dimethylbenzenecarbothioamide (CAS 57182-70-4), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 2,4-dimethylbenzenecarbothioamide.
Chemical Property Profile of 2,4-Dimethylbenzenecarbothioamide
Property Insights of 2,4-Dimethylbenzenecarbothioamide
The XLogP value of 1.93764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 2,4-Dimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylbenzenecarbothioamide has 1 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 2,4-Dimethylbenzenecarbothioamide?
The CAS number of 2,4-Dimethylbenzenecarbothioamide is 57182-70-4.
What is the molecular formula of 2,4-Dimethylbenzenecarbothioamide?
The molecular formula of 2,4-Dimethylbenzenecarbothioamide is C9H11NS.
What is the molecular weight of 2,4-Dimethylbenzenecarbothioamide?
The molecular weight of 2,4-Dimethylbenzenecarbothioamide is 165.06 g/mol.
Where can I buy 2,4-Dimethylbenzenecarbothioamide?
You can request a quote for 2,4-Dimethylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.