2-Amino-1-methyl-2-thioxoethyl benzoate
TL;DR: 2-Amino-1-methyl-2-thioxoethyl benzoate (CAS 4917-74-2) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-1-sulfanylidenepropan-2-yl) benzoate
Also Known As: 1-carbamothioylethyl benzoate, 2-benzoyloxy-thiopropionic acid amide, 1-amino-1-thioxopropan-2-yl benzoate, 2-AMINO-1-METHYL-2-THIOXOETHYL BENZOATE, Benzoic acid 1-thiocarbamoyl-ethyl ester
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.518 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 337.23505 |
Chemical Identifiers
| CAS Number | 4917-74-2 |
|---|---|
| SMILES | CC(C(=S)N)OC(=O)C1=CC=CC=C1 |
Product Overview
2-Amino-1-methyl-2-thioxoethyl benzoate (CAS 4917-74-2), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: (1-amino-1-sulfanylidenepropan-2-yl) benzoate.
Chemical Property Profile of 2-Amino-1-methyl-2-thioxoethyl benzoate
Property Insights of 2-Amino-1-methyl-2-thioxoethyl benzoate
The XLogP value of 1.518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-methyl-2-thioxoethyl benzoate. With a topological polar surface area (TPSA) of 52.32 Ų, 2-Amino-1-methyl-2-thioxoethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-methyl-2-thioxoethyl benzoate has 1 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 2-Amino-1-methyl-2-thioxoethyl benzoate?
The CAS number of 2-Amino-1-methyl-2-thioxoethyl benzoate is 4917-74-2.
What is the molecular formula of 2-Amino-1-methyl-2-thioxoethyl benzoate?
The molecular formula of 2-Amino-1-methyl-2-thioxoethyl benzoate is C10H11NO2S.
What is the molecular weight of 2-Amino-1-methyl-2-thioxoethyl benzoate?
The molecular weight of 2-Amino-1-methyl-2-thioxoethyl benzoate is 209.05 g/mol.
Where can I buy 2-Amino-1-methyl-2-thioxoethyl benzoate?
You can request a quote for 2-Amino-1-methyl-2-thioxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-methyl-2-thioxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-methyl-2-thioxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.