3-Aminopropylisothiuronium
TL;DR: 3-Aminopropylisothiuronium (CAS 7320-57-2) is a chemical compound with molecular formula C4H11N3S and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminopropyl carbamimidothioate
Also Known As: 3-Aminopropylisothiuronium, 3-aminopropyl carbamimidothioate, 3-Apt, APT (radioprotective), S-aminopropylisothiourea
| Molecular Formula | C4H11N3S |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.06737 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 7320-57-2 |
|---|---|
| SMILES | C(CN)CSC(=N)N |
| InChIKey | ABXZHBOLRVUXPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminopropylisothiuronium (CAS 7320-57-2), with molecular formula C4H11N3S and molecular weight 133.07 g/mol. IUPAC: 3-aminopropyl carbamimidothioate.
Chemical Property Profile of 3-Aminopropylisothiuronium
Property Insights of 3-Aminopropylisothiuronium
The XLogP value of -0.4 indicates that 3-Aminopropylisothiuronium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminopropylisothiuronium. Following Lipinski's Rule of Five, 3-Aminopropylisothiuronium has 3 hydrogen bond donor(s) and 3 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-Aminopropylisothiuronium?
The CAS number of 3-Aminopropylisothiuronium is 7320-57-2.
What is the molecular formula of 3-Aminopropylisothiuronium?
The molecular formula of 3-Aminopropylisothiuronium is C4H11N3S.
What is the molecular weight of 3-Aminopropylisothiuronium?
The molecular weight of 3-Aminopropylisothiuronium is 133.07 g/mol.
Where can I buy 3-Aminopropylisothiuronium?
You can request a quote for 3-Aminopropylisothiuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminopropylisothiuronium?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminopropylisothiuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.