3-Hydroxypropyl carbamimidothioate
TL;DR: 3-Hydroxypropyl carbamimidothioate (CAS 2986-30-3) is a chemical compound with molecular formula C4H10N2OS and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypropyl carbamimidothioate
Also Known As: 3-hydroxypropyl carbamimidothioate, 3-hydroxypropylsulfanylmethanimidamide
| Molecular Formula | C4H10N2OS |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.05139 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 2986-30-3 |
|---|---|
| SMILES | C(CO)CSC(=N)N |
| InChIKey | KLWXNJOZYMKOGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxypropyl carbamimidothioate (CAS 2986-30-3), with molecular formula C4H10N2OS and molecular weight 134.05 g/mol. IUPAC: 3-hydroxypropyl carbamimidothioate.
Chemical Property Profile of 3-Hydroxypropyl carbamimidothioate
Property Insights of 3-Hydroxypropyl carbamimidothioate
The XLogP value of -0.2 indicates that 3-Hydroxypropyl carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxypropyl carbamimidothioate. Following Lipinski's Rule of Five, 3-Hydroxypropyl carbamimidothioate 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-Hydroxypropyl carbamimidothioate?
The CAS number of 3-Hydroxypropyl carbamimidothioate is 2986-30-3.
What is the molecular formula of 3-Hydroxypropyl carbamimidothioate?
The molecular formula of 3-Hydroxypropyl carbamimidothioate is C4H10N2OS.
What is the molecular weight of 3-Hydroxypropyl carbamimidothioate?
The molecular weight of 3-Hydroxypropyl carbamimidothioate is 134.05 g/mol.
Where can I buy 3-Hydroxypropyl carbamimidothioate?
You can request a quote for 3-Hydroxypropyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypropyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypropyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.