3-(Aminooxy)propyl imidothiocarbamate
TL;DR: 3-(Aminooxy)propyl imidothiocarbamate (CAS 90642-24-3) is a chemical compound with molecular formula C4H11N3OS and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminooxypropyl carbamimidothioate
Also Known As: 3-(Aminooxy)propyl imidothiocarbamate, NCIOpen2_008395, 2-(3-aminooxypropyl)isothiourea, 3-aminooxypropyl carbamimidothioate, 3-(Aminooxy)propyl carbamimidothioate
| Molecular Formula | C4H11N3OS |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 149.06229 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 90642-24-3 |
|---|---|
| SMILES | C(CON)CSC(=N)N |
| InChIKey | VDKQIGKGQVVBMG-UHFFFAOYSA-N |
Product Overview
3-(Aminooxy)propyl imidothiocarbamate (CAS 90642-24-3), with molecular formula C4H11N3OS and molecular weight 149.06 g/mol. IUPAC: 3-aminooxypropyl carbamimidothioate.
Chemical Property Profile of 3-(Aminooxy)propyl imidothiocarbamate
Property Insights of 3-(Aminooxy)propyl imidothiocarbamate
The XLogP value of -0.4 indicates that 3-(Aminooxy)propyl imidothiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminooxy)propyl imidothiocarbamate. Following Lipinski's Rule of Five, 3-(Aminooxy)propyl imidothiocarbamate has 3 hydrogen bond donor(s) and 4 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 3-(Aminooxy)propyl imidothiocarbamate?
The CAS number of 3-(Aminooxy)propyl imidothiocarbamate is 90642-24-3.
What is the molecular formula of 3-(Aminooxy)propyl imidothiocarbamate?
The molecular formula of 3-(Aminooxy)propyl imidothiocarbamate is C4H11N3OS.
What is the molecular weight of 3-(Aminooxy)propyl imidothiocarbamate?
The molecular weight of 3-(Aminooxy)propyl imidothiocarbamate is 149.06 g/mol.
Where can I buy 3-(Aminooxy)propyl imidothiocarbamate?
You can request a quote for 3-(Aminooxy)propyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminooxy)propyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminooxy)propyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.