2-Pyridinemethanethiol, 1-oxide, hydrochloride
TL;DR: 2-Pyridinemethanethiol, 1-oxide, hydrochloride (CAS 2554-66-7) is a chemical compound with molecular formula C6H8ClNOS and molecular weight 177.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxidopyridin-1-ium-2-yl)methanethiol;hydrochloride
Also Known As: 2-Pyridinemethanethiol N-oxide hydrochloride, 2-Pyridinemethanethiol, 1-oxide, hydrochloride, (1-oxidopyridin-1-ium-2-yl)methanethiol hydrochloride, (1-Oxo-1lambda~5~-pyridin-2-yl)methanethiol--hydrogen chloride (1/1), RefChem:266632
| Molecular Formula | C6H8ClNOS |
|---|---|
| Molecular Weight | 177.00 g/mol |
| LogP | 1.1716 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.00151 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2554-66-7 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)CS)[O-].Cl |
| InChIKey | AKORLYJQYIBPIC-UHFFFAOYSA-N |
Product Overview
2-Pyridinemethanethiol, 1-oxide, hydrochloride (CAS 2554-66-7), with molecular formula C6H8ClNOS and molecular weight 177.00 g/mol. IUPAC: (1-oxidopyridin-1-ium-2-yl)methanethiol;hydrochloride.
Chemical Property Profile of 2-Pyridinemethanethiol, 1-oxide, hydrochloride
Property Insights of 2-Pyridinemethanethiol, 1-oxide, hydrochloride
The XLogP value of 1.1716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinemethanethiol, 1-oxide, hydrochloride. With a topological polar surface area (TPSA) of 26.5 Ų, 2-Pyridinemethanethiol, 1-oxide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinemethanethiol, 1-oxide, hydrochloride has 2 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 2-Pyridinemethanethiol, 1-oxide, hydrochloride?
The CAS number of 2-Pyridinemethanethiol, 1-oxide, hydrochloride is 2554-66-7.
What is the molecular formula of 2-Pyridinemethanethiol, 1-oxide, hydrochloride?
The molecular formula of 2-Pyridinemethanethiol, 1-oxide, hydrochloride is C6H8ClNOS.
What is the molecular weight of 2-Pyridinemethanethiol, 1-oxide, hydrochloride?
The molecular weight of 2-Pyridinemethanethiol, 1-oxide, hydrochloride is 177.00 g/mol.
Where can I buy 2-Pyridinemethanethiol, 1-oxide, hydrochloride?
You can request a quote for 2-Pyridinemethanethiol, 1-oxide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinemethanethiol, 1-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinemethanethiol, 1-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.