2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile

C9H6FN5S — CID 2057130

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile
SMILESN#CCSc1nnnn1-c1ccccc1F
InChIInChI=1S/C9H6FN5S/c10-7-3-1-2-4-8(7)15-9(12-13-14-15)16-6-5-11/h1-4H,6H2
InChIKeyBVOHRVXDPOSWNZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile (PubChem CID 2057130) has the molecular formula C9H6FN5S and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile
PubChem CID2057130
Molecular FormulaC9H6FN5S
Molecular Weight235.25 g/mol
Exact Mass235.03
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile
SMILESN#CCSc1nnnn1-c1ccccc1F
InChIInChI=1S/C9H6FN5S/c10-7-3-1-2-4-8(7)15-9(12-13-14-15)16-6-5-11/h1-4H,6H2
InChIKeyBVOHRVXDPOSWNZ-UHFFFAOYSA-N
XLogP1.42
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile (CID 2057130) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile is N#CCSc1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile?
The InChIKey is BVOHRVXDPOSWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5S/c10-7-3-1-2-4-8(7)15-9(12-13-14-15)16-6-5-11/h1-4H,6H2.
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile is sourced from PubChem (CID 2057130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).