1-Cyano-2,3-dimethylisothiourea
TL;DR: 1-Cyano-2,3-dimethylisothiourea (CAS 5848-24-8) 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.
methyl N-cyano-N'-methylcarbamimidothioate
Also Known As: N-Cyano-N',S-dimethylisothiourea, 1-Cyano-2,3-dimethylisothiourea, N-cyano-N,S-dimethylisothiourea, methyl n-cyano-n'-methylcarbamimidothioate, N-cyano N',S-dimethylisothiourea
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 5848-24-8 |
|---|---|
| SMILES | CN=C(NC#N)SC |
| InChIKey | MHGGQXIPBPGZFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-2,3-dimethylisothiourea (CAS 5848-24-8), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: methyl N-cyano-N'-methylcarbamimidothioate.
Chemical Property Profile of 1-Cyano-2,3-dimethylisothiourea
Property Insights of 1-Cyano-2,3-dimethylisothiourea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-2,3-dimethylisothiourea. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-2,3-dimethylisothiourea. Following Lipinski's Rule of Five, 1-Cyano-2,3-dimethylisothiourea 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-Cyano-2,3-dimethylisothiourea?
The CAS number of 1-Cyano-2,3-dimethylisothiourea is 5848-24-8.
What is the molecular formula of 1-Cyano-2,3-dimethylisothiourea?
The molecular formula of 1-Cyano-2,3-dimethylisothiourea is C4H7N3S.
What is the molecular weight of 1-Cyano-2,3-dimethylisothiourea?
The molecular weight of 1-Cyano-2,3-dimethylisothiourea is 129.04 g/mol.
Where can I buy 1-Cyano-2,3-dimethylisothiourea?
You can request a quote for 1-Cyano-2,3-dimethylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2,3-dimethylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2,3-dimethylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.