Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)
TL;DR: Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) (CAS 63680-43-3) is a chemical compound with molecular formula C8H21N3O4S2 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)pentan-2-yl carbamimidothioate;sulfuric acid
Also Known As: USAF B-126, KST-1B6887, 1-(dimethylamino)pentan-2-yl carbamimidothioate sulfate(1:1), alpha-Propyl-beta,beta-dimethyl aminoethyl-isothiouronium sulfate, Pseudourea, 2-(2-dimethylamino-1-propyl)ethyl-2-thio-, hydrogen sulfate
| Molecular Formula | C8H21N3O4S2 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.09735 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 63680-43-3 |
|---|---|
| SMILES | CCCC(CN(C)C)SC(=N)N.OS(=O)(=O)O |
| InChIKey | IZDDZJUFNIOHBY-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) (CAS 63680-43-3), with molecular formula C8H21N3O4S2 and molecular weight 287.10 g/mol. IUPAC: 1-(dimethylamino)pentan-2-yl carbamimidothioate;sulfuric acid.
Chemical Property Profile of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)
Property Insights of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1). The TPSA of 161.0 Ų indicates high polarity, suggesting Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) 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 Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)?
The CAS number of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) is 63680-43-3.
What is the molecular formula of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)?
The molecular formula of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) is C8H21N3O4S2.
What is the molecular weight of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)?
The molecular weight of Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) is 287.10 g/mol.
Where can I buy Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)?
You can request a quote for Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--1-(dimethylamino)pentan-2-yl carbamimidothioate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.