delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
TL;DR: delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- (CAS 37489-45-5) is a chemical compound with molecular formula C4H7N3O2S and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thione
Also Known As: currency2-Triazolinthion, 2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thione, 2,4-bis(hydroxymethyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione, 1,4-Bis -4,5-dihydro-1H-1,2,4-triazole-5-thione, delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
| Molecular Formula | C4H7N3O2S |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.0259 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 37489-45-5 |
|---|---|
| SMILES | C1=NN(C(=S)N1CO)CO |
| InChIKey | DZTHSPZBXMIXOH-UHFFFAOYSA-N |
Product Overview
delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- (CAS 37489-45-5), with molecular formula C4H7N3O2S and molecular weight 161.03 g/mol. IUPAC: 2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
Property Insights of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
The XLogP value of -1.0 indicates that delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-. Following Lipinski's Rule of Five, delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- has 2 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 delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-?
The CAS number of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- is 37489-45-5.
What is the molecular formula of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-?
The molecular formula of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- is C4H7N3O2S.
What is the molecular weight of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-?
The molecular weight of delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- is 161.03 g/mol.
Where can I buy delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-?
You can request a quote for delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.