4-phenyl-3-sulfanyl-2H-tetrazole

C7H8N4S — CID 16657386

IUPAC4-phenyl-3-sulfanyl-2H-tetrazole
SMILESSN1NN=CN1c1ccccc1
InChIInChI=1S/C7H8N4S/c12-11-9-8-6-10(11)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyXUEDGYZCOWRRAP-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.02
Rot. Bonds1

About 4-phenyl-3-sulfanyl-2H-tetrazole

4-phenyl-3-sulfanyl-2H-tetrazole (PubChem CID 16657386) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-phenyl-3-sulfanyl-2H-tetrazole.

Molecular Properties

Compound Name4-phenyl-3-sulfanyl-2H-tetrazole
PubChem CID16657386
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-phenyl-3-sulfanyl-2H-tetrazole
SMILESSN1NN=CN1c1ccccc1
InChIInChI=1S/C7H8N4S/c12-11-9-8-6-10(11)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyXUEDGYZCOWRRAP-UHFFFAOYSA-N
XLogP1.02
TPSA30.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-sulfanyl-2H-tetrazole?
The IUPAC name of 4-phenyl-3-sulfanyl-2H-tetrazole (CID 16657386) is 4-phenyl-3-sulfanyl-2H-tetrazole.
What is the SMILES notation for 4-phenyl-3-sulfanyl-2H-tetrazole?
The canonical SMILES for 4-phenyl-3-sulfanyl-2H-tetrazole is SN1NN=CN1c1ccccc1.
What is the InChIKey of 4-phenyl-3-sulfanyl-2H-tetrazole?
The InChIKey is XUEDGYZCOWRRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c12-11-9-8-6-10(11)7-4-2-1-3-5-7/h1-6,9,12H.
What are the key properties of 4-phenyl-3-sulfanyl-2H-tetrazole?
4-phenyl-3-sulfanyl-2H-tetrazole has a molecular weight of 180.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-sulfanyl-2H-tetrazole is sourced from PubChem (CID 16657386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).