methyl N'-carbamothioylcarbamimidothioate
TL;DR: methyl N'-carbamothioylcarbamimidothioate (CAS 40056-40-4) is a chemical compound with molecular formula C3H7N3S2 and molecular weight 149.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-carbamothioylcarbamimidothioate
Also Known As: S-Methyldithiobiuret, 2-Methyl-2,4-dithiopseudobiuret, methyl N'-carbamothioylcarbamimidothioate, (amino-methylsulfanyl-methylidene)thiourea
| Molecular Formula | C3H7N3S2 |
|---|---|
| Molecular Weight | 149.01 g/mol |
| LogP | -0.0923 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.00813 |
| Heavy Atoms | 8 |
| Complexity | 119.696945 |
Chemical Identifiers
| CAS Number | 40056-40-4 |
|---|---|
| SMILES | CSC(=NC(=S)N)N |
Product Overview
methyl N'-carbamothioylcarbamimidothioate (CAS 40056-40-4), with molecular formula C3H7N3S2 and molecular weight 149.01 g/mol. IUPAC: methyl N'-carbamothioylcarbamimidothioate.
Chemical Property Profile of methyl N'-carbamothioylcarbamimidothioate
Property Insights of methyl N'-carbamothioylcarbamimidothioate
The XLogP value of -0.0923 indicates that methyl N'-carbamothioylcarbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-carbamothioylcarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-carbamothioylcarbamimidothioate 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 methyl N'-carbamothioylcarbamimidothioate?
The CAS number of methyl N'-carbamothioylcarbamimidothioate is 40056-40-4.
What is the molecular formula of methyl N'-carbamothioylcarbamimidothioate?
The molecular formula of methyl N'-carbamothioylcarbamimidothioate is C3H7N3S2.
What is the molecular weight of methyl N'-carbamothioylcarbamimidothioate?
The molecular weight of methyl N'-carbamothioylcarbamimidothioate is 149.01 g/mol.
Where can I buy methyl N'-carbamothioylcarbamimidothioate?
You can request a quote for methyl N'-carbamothioylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-carbamothioylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-carbamothioylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.