Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate (CAS 63679-65-2) is a chemical compound with molecular formula C6H17N3O4S2 and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-amino-N-methylcarbamimidothioate;sulfuric acid
Also Known As: USAF B-110, 3-Amino-3-methyl-2-butylisothiouronium sulfate, butyl 1-methylhydrazinecarbimidothioate sulfate(1:1), Pseudourea, 2-thio-, 3-amino-3-methyl-2-butyl-, sulfate, Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate
| Molecular Formula | C6H17N3O4S2 |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 0.61 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06604 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 63679-65-2 |
|---|---|
| SMILES | CCCCSC(=N)N(C)N.OS(=O)(=O)O |
| InChIKey | QLHGSMYEYCBPKN-UHFFFAOYSA-N |
Product Overview
Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate (CAS 63679-65-2), with molecular formula C6H17N3O4S2 and molecular weight 259.07 g/mol. IUPAC: butyl N-amino-N-methylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate
The XLogP value of 0.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate. The TPSA of 161.0 Ų indicates high polarity, suggesting Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate has 4 hydrogen bond donor(s) and 7 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 Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate is 63679-65-2.
What is the molecular formula of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate is C6H17N3O4S2.
What is the molecular weight of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate is 259.07 g/mol.
Where can I buy Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 3-amino-2-butyl-3-methyl-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.