(1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate
TL;DR: (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate (CAS 58062-07-0) is a chemical compound with molecular formula C13H16N4S and molecular weight 260.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-2-methylimidazol-4-yl)methyl carbamimidothioate
Also Known As: NCIStruc1_001896, NCIStruc2_001397, NCI60_002202, (3-benzyl-2-methylimidazol-4-yl)methyl carbamimidothioate, (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate
| Molecular Formula | C13H16N4S |
|---|---|
| Molecular Weight | 260.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.10956 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 58062-07-0 |
|---|---|
| SMILES | CC1=NC=C(N1CC2=CC=CC=C2)CSC(=N)N |
| InChIKey | FHFHMOYELTZEQX-UHFFFAOYSA-N |
Product Overview
(1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate (CAS 58062-07-0), with molecular formula C13H16N4S and molecular weight 260.11 g/mol. IUPAC: (3-benzyl-2-methylimidazol-4-yl)methyl carbamimidothioate.
Chemical Property Profile of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate
Property Insights of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate. Following Lipinski's Rule of Five, (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate has 2 hydrogen bond donor(s) and 3 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 (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate?
The CAS number of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate is 58062-07-0.
What is the molecular formula of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate?
The molecular formula of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate is C13H16N4S.
What is the molecular weight of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate?
The molecular weight of (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate is 260.11 g/mol.
Where can I buy (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate?
You can request a quote for (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1-benzyl-2-methyl-1H-imidazol-5-yl)methyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.