1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole

C9H7FN8S — CID 1227007

IUPAC1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESFc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1
InChIInChI=1S/C9H7FN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyFJENOGOVKNFKDN-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.61
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole

1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (PubChem CID 1227007) has the molecular formula C9H7FN8S and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
PubChem CID1227007
Molecular FormulaC9H7FN8S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESFc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1
InChIInChI=1S/C9H7FN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyFJENOGOVKNFKDN-UHFFFAOYSA-N
XLogP0.61
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}methyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 974762
Cambridge id 6252533
CID 2274649
2-(1-Phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
1,6-bis(1-phenyl-1H-tetrazol-5-ylthio)hexane
CID 71426319
2-N-(4-fluorophenyl)-6-(2H-tetrazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 118724649
5,5'-[1,2-Ethanediylbis(thio)]bis(1-phenyl-1H-tetrazole)
CID 1714952
Cambridge id 7056507
CID 2925229
Acetonitrile, 2-[1-(4-fluorophenyl)-5-tetrazolylthio]-
CID 542726
{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetonitrile
CID 2057130
1-(4-Fluorophenyl)-5-(methylthio)-1h-tetrazole
CID 1508769
1-(4-Fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 15531729
1-Phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole
CID 134842307

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (CID 1227007) is 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is Fc1ccc(-n2nnnc2SCc2nn[nH]n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The InChIKey is FJENOGOVKNFKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN8S/c10-6-1-3-7(4-2-6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15).
What are the key properties of 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole has a molecular weight of 278.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 1227007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).