5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole

C11H14N4S — CID 2725598

IUPAC5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole
SMILESCSc1nnnn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C11H14N4S/c1-7-5-8(2)10(9(3)6-7)15-11(16-4)12-13-14-15/h5-6H,1-4H3
InChIKeyZTZQXZZGSIFWNO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.31
Rot. Bonds2

About 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole

5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole (PubChem CID 2725598) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole
PubChem CID2725598
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole
SMILESCSc1nnnn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C11H14N4S/c1-7-5-8(2)10(9(3)6-7)15-11(16-4)12-13-14-15/h5-6H,1-4H3
InChIKeyZTZQXZZGSIFWNO-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole?
The IUPAC name of 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole (CID 2725598) is 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole.
What is the SMILES notation for 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole?
The canonical SMILES for 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole is CSc1nnnn1-c1c(C)cc(C)cc1C.
What is the InChIKey of 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole?
The InChIKey is ZTZQXZZGSIFWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7-5-8(2)10(9(3)6-7)15-11(16-4)12-13-14-15/h5-6H,1-4H3.
What are the key properties of 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole?
5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole has a molecular weight of 234.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole is sourced from PubChem (CID 2725598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).