1-Cyano-2-methylisothiourea
TL;DR: 1-Cyano-2-methylisothiourea (CAS 15760-26-6) 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.
methyl N'-cyanocarbamimidothioate
Also Known As: 1-Cyano-2-methylisothiourea, methyl N'-cyanocarbamimidothioate, N'-cyano(methylsulfanyl)methanimidamide, N-cyano-S-methylisothiourea, methyl n-cyanocarbamimidothioate
| Molecular Formula | C3H5N3S |
|---|---|
| Molecular Weight | 115.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.02042 |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 15760-26-6 |
|---|---|
| SMILES | CSC(=NC#N)N |
| InChIKey | XTLAGIJVEHOCLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-2-methylisothiourea (CAS 15760-26-6), with molecular formula C3H5N3S and molecular weight 115.02 g/mol. IUPAC: methyl N'-cyanocarbamimidothioate.
Chemical Property Profile of 1-Cyano-2-methylisothiourea
Property Insights of 1-Cyano-2-methylisothiourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-2-methylisothiourea. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-2-methylisothiourea. Following Lipinski's Rule of Five, 1-Cyano-2-methylisothiourea 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-methylisothiourea?
The CAS number of 1-Cyano-2-methylisothiourea is 15760-26-6.
What is the molecular formula of 1-Cyano-2-methylisothiourea?
The molecular formula of 1-Cyano-2-methylisothiourea is C3H5N3S.
What is the molecular weight of 1-Cyano-2-methylisothiourea?
The molecular weight of 1-Cyano-2-methylisothiourea is 115.02 g/mol.
Where can I buy 1-Cyano-2-methylisothiourea?
You can request a quote for 1-Cyano-2-methylisothiourea 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-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.