o-(p-Tolyl) 1-azetidinecarbothioate
TL;DR: o-(p-Tolyl) 1-azetidinecarbothioate (CAS 10560-24-4) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylphenyl) azetidine-1-carbothioate
Also Known As: o-(p-Tolyl) 1-azetidinecarbothioate, O-(p-tolyl) azetidine-1-carbothioate, 4-methylphenyl azetidine-1-carbothioate, azetidine-1-carbothioic acid O-p-tolyl ester, 1-Azetidinethiocarboxylic acid p-tolyl ester
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 10560-24-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=S)N2CCC2 |
| InChIKey | ANWAGLHBYZCNCX-UHFFFAOYSA-N |
Product Overview
o-(p-Tolyl) 1-azetidinecarbothioate (CAS 10560-24-4), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: O-(4-methylphenyl) azetidine-1-carbothioate.
Chemical Property Profile of o-(p-Tolyl) 1-azetidinecarbothioate
Property Insights of o-(p-Tolyl) 1-azetidinecarbothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-(p-Tolyl) 1-azetidinecarbothioate. With a topological polar surface area (TPSA) of 44.6 Ų, o-(p-Tolyl) 1-azetidinecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(p-Tolyl) 1-azetidinecarbothioate has 0 hydrogen bond donor(s) and 2 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 o-(p-Tolyl) 1-azetidinecarbothioate?
The CAS number of o-(p-Tolyl) 1-azetidinecarbothioate is 10560-24-4.
What is the molecular formula of o-(p-Tolyl) 1-azetidinecarbothioate?
The molecular formula of o-(p-Tolyl) 1-azetidinecarbothioate is C11H13NOS.
What is the molecular weight of o-(p-Tolyl) 1-azetidinecarbothioate?
The molecular weight of o-(p-Tolyl) 1-azetidinecarbothioate is 207.07 g/mol.
Where can I buy o-(p-Tolyl) 1-azetidinecarbothioate?
You can request a quote for o-(p-Tolyl) 1-azetidinecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(p-Tolyl) 1-azetidinecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for o-(p-Tolyl) 1-azetidinecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.