Butanethiol, 4-guanidino-, hydrogen sulfate (ester)
TL;DR: Butanethiol, 4-guanidino-, hydrogen sulfate (ester) (CAS 22059-42-3) is a chemical compound with molecular formula C5H13N3O3S2 and molecular weight 227.03984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diaminomethylideneamino)-4-sulfosulfanylbutane
Also Known As: ThiosulfuricacidS- ester, 4-Guanidinobutylthiol hydrogen sulfate (ester), BUTANETHIOL, 4-GUANIDINO-, HYDROGEN SULFATE (ester), 1-(diaminomethylideneamino)-4-sulfosulfanylbutane, Thiosulfuric acid S-(4-guanidinobutyl) ester
Technical Specifications
| Molecular Formula | C5H13N3O3S2 |
| Molecular Weight | 227.03984 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.03984 Da |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
| SMILES | C(CCSS(=O)(=O)O)CN=C(N)N |
| InChIKey | LJXVGZZEFUHOPD-UHFFFAOYSA-N |
Chemical Property Profile of Butanethiol, 4-guanidino-, hydrogen sulfate (ester)
Property Insights of Butanethiol, 4-guanidino-, hydrogen sulfate (ester)
The XLogP value of -1.3 indicates that Butanethiol, 4-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 Butanethiol, 4-guanidino-, hydrogen sulfate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanethiol, 4-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
What is the CAS number of Butanethiol, 4-guanidino-, hydrogen sulfate (ester)?
The CAS number of Butanethiol, 4-guanidino-, hydrogen sulfate (ester) is 22059-42-3.
What is the molecular formula of Butanethiol, 4-guanidino-, hydrogen sulfate (ester)?
The molecular formula of Butanethiol, 4-guanidino-, hydrogen sulfate (ester) is C5H13N3O3S2.
What is the molecular weight of Butanethiol, 4-guanidino-, hydrogen sulfate (ester)?
The molecular weight of Butanethiol, 4-guanidino-, hydrogen sulfate (ester) is 227.03984 g/mol.
Where can I buy Butanethiol, 4-guanidino-, hydrogen sulfate (ester)?
You can request a quote for Butanethiol, 4-guanidino-, hydrogen sulfate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanethiol, 4-guanidino-, hydrogen sulfate (ester)?
Yes, CoreyChem provides custom synthesis services for Butanethiol, 4-guanidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.