(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite

C9H9FN2S — CID 144729907

IUPAC(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite
SMILESFSC1=C(n2cccn2)CCC=C1
InChIInChI=1S/C9H9FN2S/c10-13-9-5-2-1-4-8(9)12-7-3-6-11-12/h2-3,5-7H,1,4H2
InChIKeyLNZDSXHKVINMBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.02
Rot. Bonds2

About (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite

(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite (PubChem CID 144729907) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite
PubChem CID144729907
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite
SMILESFSC1=C(n2cccn2)CCC=C1
InChIInChI=1S/C9H9FN2S/c10-13-9-5-2-1-4-8(9)12-7-3-6-11-12/h2-3,5-7H,1,4H2
InChIKeyLNZDSXHKVINMBS-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite 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-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite?
The IUPAC name of (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite (CID 144729907) is (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite.
What is the SMILES notation for (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite?
The canonical SMILES for (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite is FSC1=C(n2cccn2)CCC=C1.
What is the InChIKey of (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite?
The InChIKey is LNZDSXHKVINMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c10-13-9-5-2-1-4-8(9)12-7-3-6-11-12/h2-3,5-7H,1,4H2.
What are the key properties of (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite?
(2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite has a molecular weight of 196.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazol-1-ylcyclohexa-1,5-dien-1-yl) thiohypofluorite is sourced from PubChem (CID 144729907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).