2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
TL;DR: 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- (CAS 56557-22-3) is a chemical compound with molecular formula C8H8N4OS and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hydroxymethyl)-4-phenyltetrazole-5-thione
Also Known As: Tetrazolinthion, 1-(hydroxymethyl)-4-phenyltetrazole-5-thione, 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-, SDCCGMLS-0064747.P001, 1-(Hydroxymethyl)-4-phenyl-2-tetrazoline-5-thione
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 56557-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)N(N=N2)CO |
| InChIKey | BTUJSUDWUWIQPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- (CAS 56557-22-3), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 1-(hydroxymethyl)-4-phenyltetrazole-5-thione.
Chemical Property Profile of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
Property Insights of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-. Following Lipinski's Rule of Five, 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- has 1 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 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The CAS number of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is 56557-22-3.
What is the molecular formula of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The molecular formula of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is C8H8N4OS.
What is the molecular weight of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
The molecular weight of 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- is 208.04 g/mol.
Where can I buy 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
You can request a quote for 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.