methyl N'-(carbamothioylamino)carbamimidothioate
TL;DR: methyl N'-(carbamothioylamino)carbamimidothioate (CAS 91679-53-7) is a chemical compound with molecular formula C3H8N4S2 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(carbamothioylamino)carbamimidothioate
Also Known As: 1-thiocarbamoylpyrrolidone-2, methyl N'-(carbamothioylamino)carbamimidothioate, [(amino-methylsulfanyl-methylidene)amino]thiourea
| Molecular Formula | C3H8N4S2 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | -0.5877 |
| Topological Polar Surface Area | 76.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.01904 |
| Heavy Atoms | 9 |
| Complexity | 131.77444 |
Chemical Identifiers
| CAS Number | 91679-53-7 |
|---|---|
| SMILES | CSC(=NNC(=S)N)N |
Product Overview
methyl N'-(carbamothioylamino)carbamimidothioate (CAS 91679-53-7), with molecular formula C3H8N4S2 and molecular weight 164.02 g/mol. IUPAC: methyl N'-(carbamothioylamino)carbamimidothioate.
Chemical Property Profile of methyl N'-(carbamothioylamino)carbamimidothioate
Property Insights of methyl N'-(carbamothioylamino)carbamimidothioate
The XLogP value of -0.5877 indicates that methyl N'-(carbamothioylamino)carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(carbamothioylamino)carbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(carbamothioylamino)carbamimidothioate has 3 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 methyl N'-(carbamothioylamino)carbamimidothioate?
The CAS number of methyl N'-(carbamothioylamino)carbamimidothioate is 91679-53-7.
What is the molecular formula of methyl N'-(carbamothioylamino)carbamimidothioate?
The molecular formula of methyl N'-(carbamothioylamino)carbamimidothioate is C3H8N4S2.
What is the molecular weight of methyl N'-(carbamothioylamino)carbamimidothioate?
The molecular weight of methyl N'-(carbamothioylamino)carbamimidothioate is 164.02 g/mol.
Where can I buy methyl N'-(carbamothioylamino)carbamimidothioate?
You can request a quote for methyl N'-(carbamothioylamino)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-(carbamothioylamino)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(carbamothioylamino)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.