1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea
TL;DR: 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea (CAS 259753-98-5) is a chemical compound with molecular formula C8H14N4S and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-imidazol-1-ylpropyl)-3-methylthiourea
Also Known As: 1-[3-(1H-imidazol-1-yl)propyl]-3-methylthiourea, VUF 5394, 1-alkylimidazole thiourea deriv. 26, 1-(3-imidazol-1-ylpropyl)-3-methylthiourea, 1-(3-(1H-imidazol-1-yl)propyl)-3-methylthiourea
| Molecular Formula | C8H14N4S |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.3671 |
| Topological Polar Surface Area | 41.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.09392 |
| Heavy Atoms | 13 |
| Complexity | 244.65652 |
Chemical Identifiers
| CAS Number | 259753-98-5 |
|---|---|
| SMILES | CNC(=S)NCCCN1C=CN=C1 |
Product Overview
1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea (CAS 259753-98-5), with molecular formula C8H14N4S and molecular weight 198.09 g/mol. IUPAC: 1-(3-imidazol-1-ylpropyl)-3-methylthiourea.
Chemical Property Profile of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea
Property Insights of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea
The XLogP value of 0.3671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea. With a topological polar surface area (TPSA) of 41.88 Ų, 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea 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 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea?
The CAS number of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea is 259753-98-5.
What is the molecular formula of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea?
The molecular formula of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea is C8H14N4S.
What is the molecular weight of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea?
The molecular weight of 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea is 198.09 g/mol.
Where can I buy 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea?
You can request a quote for 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.