氰甲基(甲基)硫酸氢铵
TL;DR: 氰甲基(甲基)硫酸氢铵 (CAS 33986-15-1) is a chemical compound with molecular formula C3H8N2O4S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰甲基(甲基)硫酸氢铵
cyanomethyl(methyl)azanium;hydrogen sulfate
Also Known As: Hydrogen sulfate, Methylaminoacetonitrile sulfate, cyanomethyl(methyl)ammonium, USAF A-8104, ACETONITRILE, METHYLAMINO-, SULFATE
| Molecular Formula | C3H8N2O4S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | -2.29 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.02048 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 33986-15-1 |
|---|---|
| SMILES | C[NH2+]CC#N.OS(=O)(=O)[O-] |
| InChIKey | SEBZVAFMXLJJNO-UHFFFAOYSA-N |
Product Overview
氰甲基(甲基)硫酸氢铵 (CAS 33986-15-1), with molecular formula C3H8N2O4S and molecular weight 168.02 g/mol. IUPAC: cyanomethyl(methyl)azanium;hydrogen sulfate.
Chemical Property Profile of 氰甲基(甲基)硫酸氢铵
Property Insights of 氰甲基(甲基)硫酸氢铵
The XLogP value of -2.29 indicates that 氰甲基(甲基)硫酸氢铵 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氰甲基(甲基)硫酸氢铵. Following Lipinski's Rule of Five, 氰甲基(甲基)硫酸氢铵 has 2 hydrogen bond donor(s) and 5 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 氰甲基(甲基)硫酸氢铵?
The CAS number of 氰甲基(甲基)硫酸氢铵 is 33986-15-1.
What is the molecular formula of 氰甲基(甲基)硫酸氢铵?
The molecular formula of 氰甲基(甲基)硫酸氢铵 is C3H8N2O4S.
What is the molecular weight of 氰甲基(甲基)硫酸氢铵?
The molecular weight of 氰甲基(甲基)硫酸氢铵 is 168.02 g/mol.
Where can I buy 氰甲基(甲基)硫酸氢铵?
You can request a quote for 氰甲基(甲基)硫酸氢铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰甲基(甲基)硫酸氢铵?
Yes, KEHONG BIO provides custom synthesis services for 氰甲基(甲基)硫酸氢铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.