1-Cyano-3-methylthiourea
TL;DR: 1-Cyano-3-methylthiourea (CAS 67944-71-2) is a chemical compound with molecular formula C3H5N3S and molecular weight 115.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-3-methylthiourea
Also Known As: 1-cyano-3-methylthiourea, 3-CYANO-1-METHYLTHIOUREA, N-cyano-N'-methylthiourea, N-cyano-N'-methyl-thiourea, 1-cyano-3-methyl-thiourea
| Molecular Formula | C3H5N3S |
|---|---|
| Molecular Weight | 115.02 g/mol |
| LogP | -0.43862 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.02042 |
| Heavy Atoms | 7 |
| Complexity | 103.23787 |
Chemical Identifiers
| CAS Number | 67944-71-2 |
|---|---|
| SMILES | CNC(=S)NC#N |
Product Overview
1-Cyano-3-methylthiourea (CAS 67944-71-2), with molecular formula C3H5N3S and molecular weight 115.02 g/mol. IUPAC: 1-cyano-3-methylthiourea.
Chemical Property Profile of 1-Cyano-3-methylthiourea
Property Insights of 1-Cyano-3-methylthiourea
The XLogP value of -0.43862 indicates that 1-Cyano-3-methylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.85 Ų, 1-Cyano-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-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-Cyano-3-methylthiourea?
The CAS number of 1-Cyano-3-methylthiourea is 67944-71-2.
What is the molecular formula of 1-Cyano-3-methylthiourea?
The molecular formula of 1-Cyano-3-methylthiourea is C3H5N3S.
What is the molecular weight of 1-Cyano-3-methylthiourea?
The molecular weight of 1-Cyano-3-methylthiourea is 115.02 g/mol.
Where can I buy 1-Cyano-3-methylthiourea?
You can request a quote for 1-Cyano-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-Cyano-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.