5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole

C11H11FN4S — CID 52734519

IUPAC5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1SCc1ccccc1F
InChIInChI=1S/C11H11FN4S/c1-2-7-16-11(13-14-15-16)17-8-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyFEIPYHITRYTKAW-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.29
Rot. Bonds5

About 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole

5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole (PubChem CID 52734519) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole
PubChem CID52734519
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1SCc1ccccc1F
InChIInChI=1S/C11H11FN4S/c1-2-7-16-11(13-14-15-16)17-8-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyFEIPYHITRYTKAW-UHFFFAOYSA-N
XLogP2.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(4-Fluorophenyl)methylsulfanyl]-1-methyltetrazole
CID 2266188
Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
CID 581253
1-Methyl-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 647032
5-(2-Fluoro-benzylsulfanyl)-1-methyl-1H-tetrazole
CID 656320
(E)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine
CID 1817779
5-(benzylsulfanyl)-1-methyl-1H-tetrazole
CID 2141459
1-Methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 45856112
4-(((1-Cyclopropyl-1h-tetrazol-5-yl)thio)methyl)benzonitrile
CID 9205013
1H-Tetrazole, 5,5'-(1,3-phenylenebis(methylenethio))bis(1-(2-propenyl)-
CID 618575
5-(Diphenylmethylthio)-1-methyl-1,2,3,4-tetraazole
CID 673947
5-Benzylsulfonyl-1-(2-methylpropyl)tetrazole
CID 9548451
3-[(1-Ethyltetrazol-5-yl)sulfanylmethyl]-4-fluorobenzonitrile
CID 17461896

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole (CID 52734519) is 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole is C=CCn1nnnc1SCc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole?
The InChIKey is FEIPYHITRYTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-2-7-16-11(13-14-15-16)17-8-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2.
What are the key properties of 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole?
5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole has a molecular weight of 250.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfanyl]-1-prop-2-enyltetrazole is sourced from PubChem (CID 52734519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).