2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate
TL;DR: 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate (CAS 6632-66-2) is a chemical compound with molecular formula C9H15N3O3S2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-pyridin-4-ylethyl carbamimidothioate
Also Known As: 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate, NCI60_004084, methanesulfonic acid; 2-[2-(4-pyridyl)ethyl]isothiourea, methanesulfonic acid; 2-pyridin-4-ylethyl carbamimidothioate, Methanesulfonic acid--2-(pyridin-4-yl)ethyl carbamimidothioate (1/1)
| Molecular Formula | C9H15N3O3S2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 0.75477 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.05548 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6632-66-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CN=CC=C1CCSC(=N)N |
| InChIKey | KUROWSCNDZZTCV-UHFFFAOYSA-N |
Product Overview
2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate (CAS 6632-66-2), with molecular formula C9H15N3O3S2 and molecular weight 277.06 g/mol. IUPAC: methanesulfonic acid;2-pyridin-4-ylethyl carbamimidothioate.
Chemical Property Profile of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate
Property Insights of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate
The XLogP value of 0.75477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate has 3 hydrogen bond donor(s) and 6 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-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate?
The CAS number of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate is 6632-66-2.
What is the molecular formula of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate?
The molecular formula of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate is C9H15N3O3S2.
What is the molecular weight of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate?
The molecular weight of 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate is 277.06 g/mol.
Where can I buy 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate?
You can request a quote for 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.