S-phenyl 2-methylaziridine-1-carbothioate
TL;DR: S-phenyl 2-methylaziridine-1-carbothioate (CAS 22039-86-7) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 2-methylaziridine-1-carbothioate
Also Known As: S-phenyl 2-methylaziridine-1-carbothioate, 1-Aziridinecarbothioic acid, 2-methyl-, S-phenyl ester
| Molecular Formula | C10H11NOS |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.05614 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 22039-86-7 |
|---|---|
| SMILES | CC1CN1C(=O)SC2=CC=CC=C2 |
| InChIKey | SLIRNKHKFFTWJW-UHFFFAOYSA-N |
Product Overview
S-phenyl 2-methylaziridine-1-carbothioate (CAS 22039-86-7), with molecular formula C10H11NOS and molecular weight 193.06 g/mol. IUPAC: S-phenyl 2-methylaziridine-1-carbothioate.
Chemical Property Profile of S-phenyl 2-methylaziridine-1-carbothioate
Property Insights of S-phenyl 2-methylaziridine-1-carbothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-phenyl 2-methylaziridine-1-carbothioate. With a topological polar surface area (TPSA) of 45.4 Ų, S-phenyl 2-methylaziridine-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 2-methylaziridine-1-carbothioate 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 S-phenyl 2-methylaziridine-1-carbothioate?
The CAS number of S-phenyl 2-methylaziridine-1-carbothioate is 22039-86-7.
What is the molecular formula of S-phenyl 2-methylaziridine-1-carbothioate?
The molecular formula of S-phenyl 2-methylaziridine-1-carbothioate is C10H11NOS.
What is the molecular weight of S-phenyl 2-methylaziridine-1-carbothioate?
The molecular weight of S-phenyl 2-methylaziridine-1-carbothioate is 193.06 g/mol.
Where can I buy S-phenyl 2-methylaziridine-1-carbothioate?
You can request a quote for S-phenyl 2-methylaziridine-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 2-methylaziridine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 2-methylaziridine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.