5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole

C10H11FN4S — CID 86792637

IUPAC5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1nnnc1-c1ccccc1F
InChIInChI=1S/C10H11FN4S/c1-16-7-6-15-10(12-13-14-15)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyTZGJSDQQBYQLOS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.84
Rot. Bonds4

About 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole

5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole (PubChem CID 86792637) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole
PubChem CID86792637
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1nnnc1-c1ccccc1F
InChIInChI=1S/C10H11FN4S/c1-16-7-6-15-10(12-13-14-15)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyTZGJSDQQBYQLOS-UHFFFAOYSA-N
XLogP1.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
1H-Tetrazole, 1-benzyl-5-(2-thienyl)-
CID 561448
3-[[5-(2-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 2561205
1-Methyl-5-phenyltetrazole
CID 140752
4H-1,2,4-Triazole, 3-(ethylthio)-5-(2-fluorophenyl)-4-methyl-
CID 3087995
4H-1,2,4-Triazole, 4-ethyl-3-(2-fluorophenyl)-5-(methylthio)-
CID 3088009
4-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiomorpholine
CID 652611
4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiomorpholine
CID 654208
N-(4-fluorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 4717875
1-Benzyl-5-(trifluoromethyl)tetrazole
CID 307894
3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 2504265

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole?
The IUPAC name of 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole (CID 86792637) is 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole?
The canonical SMILES for 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole is CSCCn1nnnc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole?
The InChIKey is TZGJSDQQBYQLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-16-7-6-15-10(12-13-14-15)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole?
5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole has a molecular weight of 238.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole is sourced from PubChem (CID 86792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).