Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester
TL;DR: Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester (CAS 51594-86-6) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-3-ylmethyl N-(4-methylsulfanylphenyl)carbamate
Also Known As: Pyridylmethyl (methylthio)phenyl carbamate, CARBAMIC ACID, (4-(METHYLTHIO)PHENYL)-, 3-PYRIDINYLMETHYL ESTER, (4-(Methylthio)phenyl)carbamic acid 3-pyridinylmethyl ester, 5-21-02-00176 (Beilstein Handbook Reference), 3-pyridylmethyl N-(4'-methylthiophenyl)carbamate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14N2O2S |
| Molecular Weight | 274.0776 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0776 Da |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
| SMILES | CSC1=CC=C(C=C1)NC(=O)OCC2=CN=CC=C2 |
| InChIKey | KHTCKRBILMFWJI-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester
Property Insights of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester?
The CAS number of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester is 51594-86-6.
What is the molecular formula of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester?
The molecular formula of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester is C14H14N2O2S.
What is the molecular weight of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester?
The molecular weight of Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester is 274.0776 g/mol.
Where can I buy Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester?
You can request a quote for Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.