5-methylsulfanyl-2-phenyltetrazole

C8H8N4S — CID 102590923

IUPAC5-methylsulfanyl-2-phenyltetrazole
SMILESCSc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H8N4S/c1-13-8-9-11-12(10-8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyPNXHUVMEJLWHLV-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.38
Rot. Bonds2

About 5-methylsulfanyl-2-phenyltetrazole

5-methylsulfanyl-2-phenyltetrazole (PubChem CID 102590923) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 5-methylsulfanyl-2-phenyltetrazole.

Molecular Properties

Compound Name5-methylsulfanyl-2-phenyltetrazole
PubChem CID102590923
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name5-methylsulfanyl-2-phenyltetrazole
SMILESCSc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H8N4S/c1-13-8-9-11-12(10-8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyPNXHUVMEJLWHLV-UHFFFAOYSA-N
XLogP1.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methylsulfanyl-2-phenyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-phenyltetrazole?
The IUPAC name of 5-methylsulfanyl-2-phenyltetrazole (CID 102590923) is 5-methylsulfanyl-2-phenyltetrazole.
What is the SMILES notation for 5-methylsulfanyl-2-phenyltetrazole?
The canonical SMILES for 5-methylsulfanyl-2-phenyltetrazole is CSc1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-methylsulfanyl-2-phenyltetrazole?
The InChIKey is PNXHUVMEJLWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-13-8-9-11-12(10-8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-methylsulfanyl-2-phenyltetrazole?
5-methylsulfanyl-2-phenyltetrazole has a molecular weight of 192.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-phenyltetrazole is sourced from PubChem (CID 102590923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).