2-methyl-1H-imidazole-4-carbothioamide
TL;DR: 2-methyl-1H-imidazole-4-carbothioamide (CAS 129486-91-5) is a chemical compound with molecular formula C5H7N3S and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-imidazole-5-carbothioamide
Also Known As: 2-methyl-1H-imidazole-4-carbothioamide, 2-methyl-1H-imidazole-5-carbothioamide, 1H-Imidazole-5-carbothioamide, 2-methyl-, 1H-Imidazole-5-carbothioamide,2-methyl-, 1H-Imidazole-5-carbothioamide,2-methyl
| Molecular Formula | C5H7N3S |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.35232 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.03607 |
| Heavy Atoms | 9 |
| Complexity | 227.86191 |
Chemical Identifiers
| CAS Number | 129486-91-5 |
|---|---|
| SMILES | CC1=NC=C(N1)C(=S)N |
Product Overview
2-methyl-1H-imidazole-4-carbothioamide (CAS 129486-91-5), with molecular formula C5H7N3S and molecular weight 141.04 g/mol. IUPAC: 2-methyl-1H-imidazole-5-carbothioamide.
Chemical Property Profile of 2-methyl-1H-imidazole-4-carbothioamide
Property Insights of 2-methyl-1H-imidazole-4-carbothioamide
The XLogP value of 0.35232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1H-imidazole-4-carbothioamide. With a topological polar surface area (TPSA) of 54.7 Ų, 2-methyl-1H-imidazole-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1H-imidazole-4-carbothioamide has 2 hydrogen bond donor(s) and 2 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-methyl-1H-imidazole-4-carbothioamide?
The CAS number of 2-methyl-1H-imidazole-4-carbothioamide is 129486-91-5.
What is the molecular formula of 2-methyl-1H-imidazole-4-carbothioamide?
The molecular formula of 2-methyl-1H-imidazole-4-carbothioamide is C5H7N3S.
What is the molecular weight of 2-methyl-1H-imidazole-4-carbothioamide?
The molecular weight of 2-methyl-1H-imidazole-4-carbothioamide is 141.04 g/mol.
Where can I buy 2-methyl-1H-imidazole-4-carbothioamide?
You can request a quote for 2-methyl-1H-imidazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-1H-imidazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-1H-imidazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.