![1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- structure](/static/products/1660/1660-27-1.webp)
1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
TL;DR: 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- (CAS 1660-27-1) is a chemical compound with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyltetrazol-5-yl)sulfanylbenzene-1,4-diol
Also Known As: IFLab1_006112, 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-, 2-(1-Phenyl-5-tetrazolylthio)hydrochinon, 2-((1-phenyl-1H-tetrazol-5-yl)thio)benzene-1,4-diol, J2.600.057B
| Molecular Formula | C13H10N4O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05246 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 1660-27-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC(=C3)O)O |
| InChIKey | QEOMLJRJPCAIPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- (CAS 1660-27-1), with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol. IUPAC: 2-(1-phenyltetrazol-5-yl)sulfanylbenzene-1,4-diol.
Chemical Property Profile of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Property Insights of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- has 2 hydrogen bond donor(s) and 6 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 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The CAS number of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- is 1660-27-1.
What is the molecular formula of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The molecular formula of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- is C13H10N4O2S.
What is the molecular weight of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The molecular weight of 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- is 286.05 g/mol.
Where can I buy 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
You can request a quote for 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.