![Methyl 6-[(aminocarbonothioyl)amino]hexanoate structure](/static/products/989/98998-60-8.png)
Methyl 6-[(aminocarbonothioyl)amino]hexanoate
TL;DR: Methyl 6-[(aminocarbonothioyl)amino]hexanoate (CAS 98998-60-8) is a chemical compound with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(carbamothioylamino)hexanoate
Also Known As: methyl 6-(carbamothioylamino)hexanoate, Methyl 6-thioureidohexanoate, methyl 6-[(aminocarbonothioyl)amino]hexanoate, Methyl6-thioureidohexanoate, 5-Chloro-2-methoxy-benzoicacidhydrazide
| Molecular Formula | C8H16N2O2S |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 0.553 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.09325 |
| Heavy Atoms | 13 |
| Complexity | 173.52696 |
Chemical Identifiers
| CAS Number | 98998-60-8 |
|---|---|
| SMILES | COC(=O)CCCCCNC(=S)N |
Product Overview
Methyl 6-[(aminocarbonothioyl)amino]hexanoate (CAS 98998-60-8), with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol. IUPAC: methyl 6-(carbamothioylamino)hexanoate.
Chemical Property Profile of Methyl 6-[(aminocarbonothioyl)amino]hexanoate
Property Insights of Methyl 6-[(aminocarbonothioyl)amino]hexanoate
The XLogP value of 0.553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-[(aminocarbonothioyl)amino]hexanoate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-[(aminocarbonothioyl)amino]hexanoate. Following Lipinski's Rule of Five, Methyl 6-[(aminocarbonothioyl)amino]hexanoate has 2 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 6-[(aminocarbonothioyl)amino]hexanoate?
The CAS number of Methyl 6-[(aminocarbonothioyl)amino]hexanoate is 98998-60-8.
What is the molecular formula of Methyl 6-[(aminocarbonothioyl)amino]hexanoate?
The molecular formula of Methyl 6-[(aminocarbonothioyl)amino]hexanoate is C8H16N2O2S.
What is the molecular weight of Methyl 6-[(aminocarbonothioyl)amino]hexanoate?
The molecular weight of Methyl 6-[(aminocarbonothioyl)amino]hexanoate is 204.09 g/mol.
Where can I buy Methyl 6-[(aminocarbonothioyl)amino]hexanoate?
You can request a quote for Methyl 6-[(aminocarbonothioyl)amino]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-[(aminocarbonothioyl)amino]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-[(aminocarbonothioyl)amino]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.