S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate
TL;DR: S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate (CAS 3848-19-9) is a chemical compound with molecular formula C12H18N2O3S2 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-amino-2-sulfosulfanylethylidene)amino]butylbenzene
Also Known As: S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate, 4-[(1-amino-2-sulfosulfanylethylidene)amino]butylbenzene, 4-[(2-sulfosulfanylethanimidoyl)amino]butylbenzene, S-{(2Z)-2-amino-2-[(4-phenylbutyl)imino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C12H18N2O3S2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.0759 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 3848-19-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCN=C(CSS(=O)(=O)O)N |
| InChIKey | MSWDUHUZYKKEJO-UHFFFAOYSA-N |
Product Overview
S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate (CAS 3848-19-9), with molecular formula C12H18N2O3S2 and molecular weight 302.08 g/mol. IUPAC: 4-[(1-amino-2-sulfosulfanylethylidene)amino]butylbenzene.
Chemical Property Profile of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate
Property Insights of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate. Following Lipinski's Rule of Five, S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate 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 S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate?
The CAS number of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate is 3848-19-9.
What is the molecular formula of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate?
The molecular formula of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate is C12H18N2O3S2.
What is the molecular weight of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate?
The molecular weight of S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate is 302.08 g/mol.
Where can I buy S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate?
You can request a quote for S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Imino-2-((4-phenylbutyl)amino)ethyl) hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.