1-Butanethiol, 4-amino-, hydrogen sulfate (ester)
TL;DR: 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) (CAS 21679-16-3) is a chemical compound with molecular formula C4H11NO3S2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-sulfosulfanylbutane
Also Known As: 1-amino-4-sulfosulfanylbutane, 4-Amino-1-butanethiol sulfate, Thiosulfuric acid, 4-aminobutyl ester, [(4-aminobutyl)sulfanyl]sulfonic acid, 1-BUTANETHIOL, 4-AMINO-, HYDROGEN SULFATE (ester)
| Molecular Formula | C4H11NO3S2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.01804 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 21679-16-3 |
|---|---|
| SMILES | C(CCSS(=O)(=O)O)CN |
| InChIKey | WMKNOQCAEUTEEI-UHFFFAOYSA-N |
Product Overview
1-Butanethiol, 4-amino-, hydrogen sulfate (ester) (CAS 21679-16-3), with molecular formula C4H11NO3S2 and molecular weight 185.02 g/mol. IUPAC: 1-amino-4-sulfosulfanylbutane.
Chemical Property Profile of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)
Property Insights of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)
The XLogP value of -3.0 indicates that 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanethiol, 4-amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) 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 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)?
The CAS number of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) is 21679-16-3.
What is the molecular formula of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)?
The molecular formula of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) is C4H11NO3S2.
What is the molecular weight of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)?
The molecular weight of 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) is 185.02 g/mol.
Where can I buy 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)?
You can request a quote for 1-Butanethiol, 4-amino-, 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 1-Butanethiol, 4-amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanethiol, 4-amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.