5-(4-methylsulfanylphenyl)-2H-tetrazole

C8H8N4S — CID 4772872

IUPAC5-(4-methylsulfanylphenyl)-2H-tetrazole
SMILESCSc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4S/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyBKSCIIVDHYXBRU-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.59
Rot. Bonds2

About 5-(4-methylsulfanylphenyl)-2H-tetrazole

5-(4-methylsulfanylphenyl)-2H-tetrazole (PubChem CID 4772872) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-2H-tetrazole
PubChem CID4772872
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name5-(4-methylsulfanylphenyl)-2H-tetrazole
SMILESCSc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4S/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyBKSCIIVDHYXBRU-UHFFFAOYSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-methylsulfanylphenyl)-2H-tetrazole (CID 4772872) is 5-(4-methylsulfanylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-2H-tetrazole is CSc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-2H-tetrazole?
The InChIKey is BKSCIIVDHYXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-(4-methylsulfanylphenyl)-2H-tetrazole?
5-(4-methylsulfanylphenyl)-2H-tetrazole has a molecular weight of 192.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-2H-tetrazole is sourced from PubChem (CID 4772872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).