5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole

C11H13BrN4S — CID 86781485

IUPAC5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1nnnc1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4S/c1-17-7-6-16-11(13-14-15-16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFOVZQGBVISPFFO-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.39
Rot. Bonds5

About 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole

5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole (PubChem CID 86781485) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole
PubChem CID86781485
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1nnnc1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4S/c1-17-7-6-16-11(13-14-15-16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFOVZQGBVISPFFO-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole (CID 86781485) is 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole is CSCCn1nnnc1Cc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole?
The InChIKey is FOVZQGBVISPFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-17-7-6-16-11(13-14-15-16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole?
5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole has a molecular weight of 313.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-1-(2-methylsulfanylethyl)tetrazole is sourced from PubChem (CID 86781485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).