Aziridine, 1-((benzylthio)methyl)-
TL;DR: Aziridine, 1-((benzylthio)methyl)- (CAS 20280-44-8) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylsulfanylmethyl)aziridine
Also Known As: 1-((Benzylthio)methyl)aziridine, Aziridine, 1-((benzylthio)methyl)-, 1-(benzylsulfanylmethyl)aziridine, 1-[(Benzylsulfanyl)methyl]aziridine, Aziridine, 1-[(benzylthio)methyl]-
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 20280-44-8 |
|---|---|
| SMILES | C1CN1CSCC2=CC=CC=C2 |
| InChIKey | RIYUIWWDFPOTBQ-UHFFFAOYSA-N |
Product Overview
Aziridine, 1-((benzylthio)methyl)- (CAS 20280-44-8), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 1-(benzylsulfanylmethyl)aziridine.
Chemical Property Profile of Aziridine, 1-((benzylthio)methyl)-
Property Insights of Aziridine, 1-((benzylthio)methyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridine, 1-((benzylthio)methyl)-. With a topological polar surface area (TPSA) of 28.3 Ų, Aziridine, 1-((benzylthio)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridine, 1-((benzylthio)methyl)- 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 Aziridine, 1-((benzylthio)methyl)-?
The CAS number of Aziridine, 1-((benzylthio)methyl)- is 20280-44-8.
What is the molecular formula of Aziridine, 1-((benzylthio)methyl)-?
The molecular formula of Aziridine, 1-((benzylthio)methyl)- is C10H13NS.
What is the molecular weight of Aziridine, 1-((benzylthio)methyl)-?
The molecular weight of Aziridine, 1-((benzylthio)methyl)- is 179.08 g/mol.
Where can I buy Aziridine, 1-((benzylthio)methyl)-?
You can request a quote for Aziridine, 1-((benzylthio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aziridine, 1-((benzylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Aziridine, 1-((benzylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.