3-Picolyl isothiocyanate hydrobromide
TL;DR: 3-Picolyl isothiocyanate hydrobromide (CAS 36810-90-9) is a chemical compound with molecular formula C7H7BrN2S and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(isothiocyanatomethyl)pyridine;hydrobromide
Also Known As: 3-Picolyl isothiocyanate hydrobromide, 3-(isothiocyanatomethyl)pyridine;hydrobromide, 3-(isothiocyanatomethyl)pyridine Hydrobromide, 3-Picolyl isothiocyanate hydrobromide,, 4506AD
| Molecular Formula | C7H7BrN2S |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 2.2623 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.95132 |
| Heavy Atoms | 11 |
| Complexity | 243.8773 |
Chemical Identifiers
| CAS Number | 36810-90-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN=C=S.Br |
Product Overview
3-Picolyl isothiocyanate hydrobromide (CAS 36810-90-9), with molecular formula C7H7BrN2S and molecular weight 229.95 g/mol. IUPAC: 3-(isothiocyanatomethyl)pyridine;hydrobromide.
Chemical Property Profile of 3-Picolyl isothiocyanate hydrobromide
Property Insights of 3-Picolyl isothiocyanate hydrobromide
The XLogP value of 2.2623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Picolyl isothiocyanate hydrobromide. With a topological polar surface area (TPSA) of 25.25 Ų, 3-Picolyl isothiocyanate hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Picolyl isothiocyanate hydrobromide 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-Picolyl isothiocyanate hydrobromide?
The CAS number of 3-Picolyl isothiocyanate hydrobromide is 36810-90-9.
What is the molecular formula of 3-Picolyl isothiocyanate hydrobromide?
The molecular formula of 3-Picolyl isothiocyanate hydrobromide is C7H7BrN2S.
What is the molecular weight of 3-Picolyl isothiocyanate hydrobromide?
The molecular weight of 3-Picolyl isothiocyanate hydrobromide is 229.95 g/mol.
Where can I buy 3-Picolyl isothiocyanate hydrobromide?
You can request a quote for 3-Picolyl isothiocyanate hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Picolyl isothiocyanate hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Picolyl isothiocyanate hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.