4-(aminomethyl)-1H-imidazole-2-thiol
TL;DR: 4-(aminomethyl)-1H-imidazole-2-thiol (CAS 4773-22-2) is a chemical compound with molecular formula C4H7N3S and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)-1,3-dihydroimidazole-2-thione
Also Known As: 4-(Aminomethyl)-2-imidazolethiol, 4- Aminomethyl-2-mercaptoimidazol, 4-(aminomethyl)-1H-imidazole-2-thiol, J1.251.800E, 4-(aminomethyl)-1,3-dihydroimidazole-2-thione
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 0.53099 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 211.05804 |
Chemical Identifiers
| CAS Number | 4773-22-2 |
|---|---|
| SMILES | C1=C(NC(=S)N1)CN |
Product Overview
4-(aminomethyl)-1H-imidazole-2-thiol (CAS 4773-22-2), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 4-(aminomethyl)-1,3-dihydroimidazole-2-thione.
Chemical Property Profile of 4-(aminomethyl)-1H-imidazole-2-thiol
Property Insights of 4-(aminomethyl)-1H-imidazole-2-thiol
The XLogP value of 0.53099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(aminomethyl)-1H-imidazole-2-thiol. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(aminomethyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(aminomethyl)-1H-imidazole-2-thiol has 3 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 4-(aminomethyl)-1H-imidazole-2-thiol?
The CAS number of 4-(aminomethyl)-1H-imidazole-2-thiol is 4773-22-2.
What is the molecular formula of 4-(aminomethyl)-1H-imidazole-2-thiol?
The molecular formula of 4-(aminomethyl)-1H-imidazole-2-thiol is C4H7N3S.
What is the molecular weight of 4-(aminomethyl)-1H-imidazole-2-thiol?
The molecular weight of 4-(aminomethyl)-1H-imidazole-2-thiol is 129.04 g/mol.
Where can I buy 4-(aminomethyl)-1H-imidazole-2-thiol?
You can request a quote for 4-(aminomethyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(aminomethyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(aminomethyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.