S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
TL;DR: S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate (CAS 32276-00-9) is a chemical compound with molecular formula C15H10N8OS2 and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(1-phenyltetrazol-5-yl)sulfanyl]methanone
Also Known As: bis[(1-phenyltetrazol-5-yl)sulfanyl]methanone, S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate, s,s-bis(1-phenyl-1h-tetrazol-5-yl) carbonodithioate, Carbonodithioic acid, S,S-bis(1-phenyl-1H-tetrazol-5-yl)ester, S,S-Bis(1-phenyl-1H-tetraazol-5-yl) dithiocarbonate
| Molecular Formula | C15H10N8OS2 |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.0419 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 32276-00-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)SC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | JZUSHUIRRMERGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate (CAS 32276-00-9), with molecular formula C15H10N8OS2 and molecular weight 382.04 g/mol. IUPAC: bis[(1-phenyltetrazol-5-yl)sulfanyl]methanone.
Chemical Property Profile of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
Property Insights of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
The XLogP value of 4.0 indicates that S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate has 0 hydrogen bond donor(s) and 9 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 S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate?
The CAS number of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate is 32276-00-9.
What is the molecular formula of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate?
The molecular formula of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate is C15H10N8OS2.
What is the molecular weight of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate?
The molecular weight of S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate is 382.04 g/mol.
Where can I buy S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate?
You can request a quote for S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.