(E/Z)-methyl N'-nitrocarbamimidothioate
TL;DR: (E/Z)-methyl N'-nitrocarbamimidothioate (CAS 2986-25-6) is a chemical compound with molecular formula C2H5N3O2S and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-nitrocarbamimidothioate
Also Known As: N-Nitro-S-methyl isothiourea, methyl N'-nitrocarbamimidothioate, (E/Z)-methyl N'-nitrocarbamimidothioate, (E)-methyl N'-nitrocarbamimidothioate, N'-nitro(methylsulfanyl)methanimidamide
| Molecular Formula | C2H5N3O2S |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.01025 |
| Heavy Atoms | 8 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 2986-25-6 |
|---|---|
| SMILES | CSC(=N[N+](=O)[O-])N |
| InChIKey | FLZZNZJENFNFOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E/Z)-methyl N'-nitrocarbamimidothioate (CAS 2986-25-6), with molecular formula C2H5N3O2S and molecular weight 135.01 g/mol. IUPAC: methyl N'-nitrocarbamimidothioate.
Chemical Property Profile of (E/Z)-methyl N'-nitrocarbamimidothioate
Property Insights of (E/Z)-methyl N'-nitrocarbamimidothioate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E/Z)-methyl N'-nitrocarbamimidothioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E/Z)-methyl N'-nitrocarbamimidothioate. Following Lipinski's Rule of Five, (E/Z)-methyl N'-nitrocarbamimidothioate has 1 hydrogen bond donor(s) and 4 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 (E/Z)-methyl N'-nitrocarbamimidothioate?
The CAS number of (E/Z)-methyl N'-nitrocarbamimidothioate is 2986-25-6.
What is the molecular formula of (E/Z)-methyl N'-nitrocarbamimidothioate?
The molecular formula of (E/Z)-methyl N'-nitrocarbamimidothioate is C2H5N3O2S.
What is the molecular weight of (E/Z)-methyl N'-nitrocarbamimidothioate?
The molecular weight of (E/Z)-methyl N'-nitrocarbamimidothioate is 135.01 g/mol.
Where can I buy (E/Z)-methyl N'-nitrocarbamimidothioate?
You can request a quote for (E/Z)-methyl N'-nitrocarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E/Z)-methyl N'-nitrocarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (E/Z)-methyl N'-nitrocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.