Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)
TL;DR: Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) (CAS 64046-58-8) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxo-1-sulfanylethyl) carbamate
Also Known As: USAF EK-734B, alpha-Mercaptoacetanilide carbamate, Acetanilide, alpha-mercapto-, carbamate, (2-anilino-2-oxo-1-sulfanylethyl) carbamate, ACETANILIDE, 2-HYDROXY-2-MERCAPTO-, CARBAMATE (ester)
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 64046-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C(OC(=O)N)S |
| InChIKey | LDPMOGIDOIGOJB-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) (CAS 64046-58-8), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: (2-anilino-2-oxo-1-sulfanylethyl) carbamate.
Chemical Property Profile of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)
Property Insights of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester). The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester). Following Lipinski's Rule of Five, Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) has 3 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 Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)?
The CAS number of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) is 64046-58-8.
What is the molecular formula of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)?
The molecular formula of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) is C9H10N2O3S.
What is the molecular weight of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)?
The molecular weight of Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) is 226.04 g/mol.
Where can I buy Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)?
You can request a quote for Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-hydroxy-2-mercapto-, carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.