1-(2-methylsulfanylphenyl)tetrazole

C8H8N4S — CID 12777466

IUPAC1-(2-methylsulfanylphenyl)tetrazole
SMILESCSc1ccccc1-n1cnnn1
InChIInChI=1S/C8H8N4S/c1-13-8-5-3-2-4-7(8)12-6-9-10-11-12/h2-6H,1H3
InChIKeyIJYWECHEUPOXQD-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.38
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)tetrazole

1-(2-methylsulfanylphenyl)tetrazole (PubChem CID 12777466) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)tetrazole.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)tetrazole
PubChem CID12777466
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name1-(2-methylsulfanylphenyl)tetrazole
SMILESCSc1ccccc1-n1cnnn1
InChIInChI=1S/C8H8N4S/c1-13-8-5-3-2-4-7(8)12-6-9-10-11-12/h2-6H,1H3
InChIKeyIJYWECHEUPOXQD-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)tetrazole?
The IUPAC name of 1-(2-methylsulfanylphenyl)tetrazole (CID 12777466) is 1-(2-methylsulfanylphenyl)tetrazole.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)tetrazole?
The canonical SMILES for 1-(2-methylsulfanylphenyl)tetrazole is CSc1ccccc1-n1cnnn1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)tetrazole?
The InChIKey is IJYWECHEUPOXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-13-8-5-3-2-4-7(8)12-6-9-10-11-12/h2-6H,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)tetrazole?
1-(2-methylsulfanylphenyl)tetrazole 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 1-(2-methylsulfanylphenyl)tetrazole is sourced from PubChem (CID 12777466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).