Methyl (carbamoylamino)(methylsulfanyl)acetate
TL;DR: Methyl (carbamoylamino)(methylsulfanyl)acetate (CAS 64731-99-3) is a chemical compound with molecular formula C5H10N2O3S and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(carbamoylamino)-2-methylsulfanylacetate
Also Known As: Acetic acid, methyl ester, Methyl (carbamoylamino)(methylsulfanyl)acetate, methyl 2-(carbamoylamino)-2-methylsulfanylacetate
| Molecular Formula | C5H10N2O3S |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.04121 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 64731-99-3 |
|---|---|
| SMILES | COC(=O)C(NC(=O)N)SC |
| InChIKey | WSBNVITUHCNUFJ-UHFFFAOYSA-N |
Product Overview
Methyl (carbamoylamino)(methylsulfanyl)acetate (CAS 64731-99-3), with molecular formula C5H10N2O3S and molecular weight 178.04 g/mol. IUPAC: methyl 2-(carbamoylamino)-2-methylsulfanylacetate.
Chemical Property Profile of Methyl (carbamoylamino)(methylsulfanyl)acetate
Property Insights of Methyl (carbamoylamino)(methylsulfanyl)acetate
The XLogP value of -0.3 indicates that Methyl (carbamoylamino)(methylsulfanyl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (carbamoylamino)(methylsulfanyl)acetate. Following Lipinski's Rule of Five, Methyl (carbamoylamino)(methylsulfanyl)acetate has 2 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 Methyl (carbamoylamino)(methylsulfanyl)acetate?
The CAS number of Methyl (carbamoylamino)(methylsulfanyl)acetate is 64731-99-3.
What is the molecular formula of Methyl (carbamoylamino)(methylsulfanyl)acetate?
The molecular formula of Methyl (carbamoylamino)(methylsulfanyl)acetate is C5H10N2O3S.
What is the molecular weight of Methyl (carbamoylamino)(methylsulfanyl)acetate?
The molecular weight of Methyl (carbamoylamino)(methylsulfanyl)acetate is 178.04 g/mol.
Where can I buy Methyl (carbamoylamino)(methylsulfanyl)acetate?
You can request a quote for Methyl (carbamoylamino)(methylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (carbamoylamino)(methylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (carbamoylamino)(methylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.