2,4,6-Trimethylbenzenecarbothioamide
TL;DR: 2,4,6-Trimethylbenzenecarbothioamide (CAS 57182-71-5) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzenecarbothioamide
Also Known As: 2,4,6-trimethylbenzenecarbothioamide, 2,4,6-trimethylbenzene-1-carbothioamide, 2,4,6-Trimethylbenzothioamide, 2,4,6-Trimethyl-thiobenzamid, BENZENECARBOTHIOAMIDE, 2,4,6-TRIMETHYL-
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.24606 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 305.60562 |
Chemical Identifiers
| CAS Number | 57182-71-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=S)N)C |
Product Overview
2,4,6-Trimethylbenzenecarbothioamide (CAS 57182-71-5), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 2,4,6-trimethylbenzenecarbothioamide.
Chemical Property Profile of 2,4,6-Trimethylbenzenecarbothioamide
Property Insights of 2,4,6-Trimethylbenzenecarbothioamide
The XLogP value of 2.24606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 2,4,6-Trimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzenecarbothioamide 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 2,4,6-Trimethylbenzenecarbothioamide?
The CAS number of 2,4,6-Trimethylbenzenecarbothioamide is 57182-71-5.
What is the molecular formula of 2,4,6-Trimethylbenzenecarbothioamide?
The molecular formula of 2,4,6-Trimethylbenzenecarbothioamide is C10H13NS.
What is the molecular weight of 2,4,6-Trimethylbenzenecarbothioamide?
The molecular weight of 2,4,6-Trimethylbenzenecarbothioamide is 179.08 g/mol.
Where can I buy 2,4,6-Trimethylbenzenecarbothioamide?
You can request a quote for 2,4,6-Trimethylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.