Methyl 2-(carbamothioylamino)benzoate
TL;DR: Methyl 2-(carbamothioylamino)benzoate (CAS 115271-80-2) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(carbamothioylamino)benzoate
Also Known As: Methyl 2-(carbamothioylamino)benzoate, methyl 2-thioureidobenzoate, Anthranilicacid,N-thiocarbamoyl-,methylester(6CI), 4-thiazol-2-ylamino-benzenesulfonamide, Methyl 2-[(aminothioxomethyl)amino]benzoate
Technical Specifications
| Molecular Formula | C9H10N2O2S |
| Molecular Weight | 210.0463 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0463 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)N |
| InChIKey | ADNZIZRXZWZMRJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(carbamothioylamino)benzoate
Property Insights of Methyl 2-(carbamothioylamino)benzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(carbamothioylamino)benzoate. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(carbamothioylamino)benzoate. Following Lipinski's Rule of Five, Methyl 2-(carbamothioylamino)benzoate 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
What is the CAS number of Methyl 2-(carbamothioylamino)benzoate?
The CAS number of Methyl 2-(carbamothioylamino)benzoate is 115271-80-2.
What is the molecular formula of Methyl 2-(carbamothioylamino)benzoate?
The molecular formula of Methyl 2-(carbamothioylamino)benzoate is C9H10N2O2S.
What is the molecular weight of Methyl 2-(carbamothioylamino)benzoate?
The molecular weight of Methyl 2-(carbamothioylamino)benzoate is 210.0463 g/mol.
Where can I buy Methyl 2-(carbamothioylamino)benzoate?
You can request a quote for Methyl 2-(carbamothioylamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(carbamothioylamino)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(carbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.