1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

C14H9FN8S — CID 15531729

IUPAC1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESFc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H9FN8S/c15-10-6-8-12(9-7-10)23-14(17-19-21-23)24-13-16-18-20-22(13)11-4-2-1-3-5-11/h1-9H
InChIKeyVYGWNZZWLGJLBR-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (PubChem CID 15531729) has the molecular formula C14H9FN8S and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
PubChem CID15531729
Molecular FormulaC14H9FN8S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESFc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H9FN8S/c15-10-6-8-12(9-7-10)23-14(17-19-21-23)24-13-16-18-20-22(13)11-4-2-1-3-5-11/h1-9H
InChIKeyVYGWNZZWLGJLBR-UHFFFAOYSA-N
XLogP1.93
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5,5'-dithiobis(1-phenyl-1H-tetrazole)
CID 78795
Sodium 1-phenyl-1H-tetrazole-5-thiolate
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Stk291648
CID 4424052
1,3-Bis[(1-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 1964780
1-Phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
Cambridge id 6252533
CID 2274649
2-(1-Phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
1-(2,5-Dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
S,S-Bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
CID 122577
5-[(2-fluorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
CID 777329
1-(2-Methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 4885033
5-(ethylthio)-1-phenyl-1H-tetrazole
CID 2223097

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (CID 15531729) is 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is Fc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The InChIKey is VYGWNZZWLGJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN8S/c15-10-6-8-12(9-7-10)23-14(17-19-21-23)24-13-16-18-20-22(13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole has a molecular weight of 340.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is sourced from PubChem (CID 15531729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).