Dithio(4-aminobutyl)carbamic acid inner salt
TL;DR: Dithio(4-aminobutyl)carbamic acid inner salt (CAS 51250-16-9) is a chemical compound with molecular formula C5H12N2S2 and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-azaniumylbutyl)carbamodithioate
Also Known As: Dithio(4-aminobutyl)carbamic acid inner salt, N-(4-azaniumylbutyl)carbamodithioate, Acide amino-4 (n-butyl)-dithiocarbamique, Acide amino-4 (n-butyl)-dithiocarbamique [French], Carbamodithioic acid, (4-aminobutyl)-, inner salt
| Molecular Formula | C5H12N2S2 |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | -0.5701 |
| Topological Polar Surface Area | 39.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.04419 |
| Heavy Atoms | 9 |
| Complexity | 85.02718 |
Chemical Identifiers
| CAS Number | 51250-16-9 |
|---|---|
| SMILES | C(CCNC(=S)[S-])C[NH3+] |
Product Overview
Dithio(4-aminobutyl)carbamic acid inner salt (CAS 51250-16-9), with molecular formula C5H12N2S2 and molecular weight 164.04 g/mol. IUPAC: N-(4-azaniumylbutyl)carbamodithioate.
Chemical Property Profile of Dithio(4-aminobutyl)carbamic acid inner salt
Property Insights of Dithio(4-aminobutyl)carbamic acid inner salt
The XLogP value of -0.5701 indicates that Dithio(4-aminobutyl)carbamic acid inner salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.67 Ų, Dithio(4-aminobutyl)carbamic acid inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithio(4-aminobutyl)carbamic acid inner salt has 2 hydrogen bond donor(s) and 2 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 Dithio(4-aminobutyl)carbamic acid inner salt?
The CAS number of Dithio(4-aminobutyl)carbamic acid inner salt is 51250-16-9.
What is the molecular formula of Dithio(4-aminobutyl)carbamic acid inner salt?
The molecular formula of Dithio(4-aminobutyl)carbamic acid inner salt is C5H12N2S2.
What is the molecular weight of Dithio(4-aminobutyl)carbamic acid inner salt?
The molecular weight of Dithio(4-aminobutyl)carbamic acid inner salt is 164.04 g/mol.
Where can I buy Dithio(4-aminobutyl)carbamic acid inner salt?
You can request a quote for Dithio(4-aminobutyl)carbamic acid inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithio(4-aminobutyl)carbamic acid inner salt?
Yes, KEHONG BIO provides custom synthesis services for Dithio(4-aminobutyl)carbamic acid inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.