1-Ethyl-2-methyl-3-cyanoisothiourea
TL;DR: 1-Ethyl-2-methyl-3-cyanoisothiourea (CAS 5848-25-9) is a chemical compound with molecular formula C5H9N3S and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-ethylcarbamimidothioate
Also Known As: N'-cyano-N-ethyl(methylsulfanyl)methanimidamide, 1-ethyl-2-methyl-3-cyanoisothiourea, methyl N-cyano-N'-ethylcarbamimidothioate, N-cyano-N'-ethyl-S-methylcarbamimidothioate, S-Methyl-N-ethyl-N'-cyanoisothioharnstoff
| Molecular Formula | C5H9N3S |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 0.79598 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.05171 |
| Heavy Atoms | 9 |
| Complexity | 135.62875 |
Chemical Identifiers
| CAS Number | 5848-25-9 |
|---|---|
| SMILES | CCN=C(NC#N)SC |
Product Overview
1-Ethyl-2-methyl-3-cyanoisothiourea (CAS 5848-25-9), with molecular formula C5H9N3S and molecular weight 143.05 g/mol. IUPAC: methyl N-cyano-N'-ethylcarbamimidothioate.
Chemical Property Profile of 1-Ethyl-2-methyl-3-cyanoisothiourea
Property Insights of 1-Ethyl-2-methyl-3-cyanoisothiourea
The XLogP value of 0.79598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-methyl-3-cyanoisothiourea. With a topological polar surface area (TPSA) of 48.18 Ų, 1-Ethyl-2-methyl-3-cyanoisothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2-methyl-3-cyanoisothiourea has 1 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-Ethyl-2-methyl-3-cyanoisothiourea?
The CAS number of 1-Ethyl-2-methyl-3-cyanoisothiourea is 5848-25-9.
What is the molecular formula of 1-Ethyl-2-methyl-3-cyanoisothiourea?
The molecular formula of 1-Ethyl-2-methyl-3-cyanoisothiourea is C5H9N3S.
What is the molecular weight of 1-Ethyl-2-methyl-3-cyanoisothiourea?
The molecular weight of 1-Ethyl-2-methyl-3-cyanoisothiourea is 143.05 g/mol.
Where can I buy 1-Ethyl-2-methyl-3-cyanoisothiourea?
You can request a quote for 1-Ethyl-2-methyl-3-cyanoisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-methyl-3-cyanoisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-methyl-3-cyanoisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.