3-(Isothiocyanatomethyl)-PROXYL
TL;DR: 3-(Isothiocyanatomethyl)-PROXYL (CAS 78140-52-0) is a chemical compound with molecular formula C10H17N2OS and molecular weight 213.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3-(Isothiocyanatomethyl)-PROXYL, 3-(isothiocyanatomethyl)-1-, 3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, I14-93788, 2,2,5,5-tetramethyl-3-isothiocyanatomethylpyrrolidine-1-oxyl
| Molecular Formula | C10H17N2OS |
|---|---|
| Molecular Weight | 213.11 g/mol |
| LogP | 2.3138 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.10616 |
| Heavy Atoms | 14 |
| Complexity | 269.29556 |
Chemical Identifiers
| CAS Number | 78140-52-0 |
|---|---|
| SMILES | CC1(CC(C(N1[O])(C)C)CN=C=S)C |
Product Overview
3-(Isothiocyanatomethyl)-PROXYL (CAS 78140-52-0), with molecular formula C10H17N2OS and molecular weight 213.11 g/mol.
Chemical Property Profile of 3-(Isothiocyanatomethyl)-PROXYL
Property Insights of 3-(Isothiocyanatomethyl)-PROXYL
The XLogP value of 2.3138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Isothiocyanatomethyl)-PROXYL. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(Isothiocyanatomethyl)-PROXYL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Isothiocyanatomethyl)-PROXYL has 0 hydrogen bond donor(s) and 3 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 3-(Isothiocyanatomethyl)-PROXYL?
The CAS number of 3-(Isothiocyanatomethyl)-PROXYL is 78140-52-0.
What is the molecular formula of 3-(Isothiocyanatomethyl)-PROXYL?
The molecular formula of 3-(Isothiocyanatomethyl)-PROXYL is C10H17N2OS.
What is the molecular weight of 3-(Isothiocyanatomethyl)-PROXYL?
The molecular weight of 3-(Isothiocyanatomethyl)-PROXYL is 213.11 g/mol.
Where can I buy 3-(Isothiocyanatomethyl)-PROXYL?
You can request a quote for 3-(Isothiocyanatomethyl)-PROXYL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isothiocyanatomethyl)-PROXYL?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isothiocyanatomethyl)-PROXYL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.