Propanethiol, 3-guanidino-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 3-guanidino-, hydrogen sulfate (ester) (CAS 22059-41-2) is a chemical compound with molecular formula C4H11N3O3S2 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylideneamino)-3-sulfosulfanylpropane
Also Known As: 2-Guanidinopropylthiol hydrogen sulfate (ester), Propanethiol, 3-guanidino-, hydrogen sulfate (ester), 1-(diaminomethylideneamino)-3-sulfosulfanylpropane, [(3-carbamimidamidopropyl)sulfanyl]sulfonic acid, S-{3-[(Diaminomethylidene)amino]propyl} hydrogen sulfurothioate
| Molecular Formula | C4H11N3O3S2 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.02419 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 22059-41-2 |
|---|---|
| SMILES | C(CN=C(N)N)CSS(=O)(=O)O |
| InChIKey | KMRUMDCKCWFUAW-UHFFFAOYSA-N |
Product Overview
Propanethiol, 3-guanidino-, hydrogen sulfate (ester) (CAS 22059-41-2), with molecular formula C4H11N3O3S2 and molecular weight 213.02 g/mol. IUPAC: 1-(diaminomethylideneamino)-3-sulfosulfanylpropane.
Chemical Property Profile of Propanethiol, 3-guanidino-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 3-guanidino-, hydrogen sulfate (ester)
The XLogP value of -1.6 indicates that Propanethiol, 3-guanidino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Propanethiol, 3-guanidino-, hydrogen sulfate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanethiol, 3-guanidino-, hydrogen sulfate (ester) has 3 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 Propanethiol, 3-guanidino-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 3-guanidino-, hydrogen sulfate (ester) is 22059-41-2.
What is the molecular formula of Propanethiol, 3-guanidino-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 3-guanidino-, hydrogen sulfate (ester) is C4H11N3O3S2.
What is the molecular weight of Propanethiol, 3-guanidino-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 3-guanidino-, hydrogen sulfate (ester) is 213.02 g/mol.
Where can I buy Propanethiol, 3-guanidino-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 3-guanidino-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethiol, 3-guanidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 3-guanidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.