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

C9H7FN8S — CID 3372591

IUPAC1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESFc1ccccc1-n1nnnc1SCc1nn[nH]n1
InChIInChI=1S/C9H7FN8S/c10-6-3-1-2-4-7(6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyUROKDCDHXFCDKC-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.61
Rot. Bonds4

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

1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (PubChem CID 3372591) has the molecular formula C9H7FN8S and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
PubChem CID3372591
Molecular FormulaC9H7FN8S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
SMILESFc1ccccc1-n1nnnc1SCc1nn[nH]n1
InChIInChI=1S/C9H7FN8S/c10-6-3-1-2-4-7(6)18-9(13-16-17-18)19-5-8-11-14-15-12-8/h1-4H,5H2,(H,11,12,14,15)
InChIKeyUROKDCDHXFCDKC-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-(4-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole
CID 1227007
{[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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole (CID 3372591) is 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is Fc1ccccc1-n1nnnc1SCc1nn[nH]n1.
What is the InChIKey of 1-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
The InChIKey is UROKDCDHXFCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN8S/c10-6-3-1-2-4-7(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-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole?
1-(2-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-(2-fluorophenyl)-5-(2H-tetrazol-5-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 3372591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).