thiohypofluorous acid;toluene

C7H9FS — CID 87601176

IUPACthiohypofluorous acid;toluene
SMILESCc1ccccc1.FS
InChIInChI=1S/C7H8.FHS/c1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2H
InChIKeyJZRAGGVVGLXXHF-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.80
Rot. Bonds

About thiohypofluorous acid;toluene

thiohypofluorous acid;toluene (PubChem CID 87601176) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is thiohypofluorous acid;toluene.

Molecular Properties

Compound Namethiohypofluorous acid;toluene
PubChem CID87601176
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Namethiohypofluorous acid;toluene
SMILESCc1ccccc1.FS
InChIInChI=1S/C7H8.FHS/c1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2H
InChIKeyJZRAGGVVGLXXHF-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiohypofluorous acid;toluene?
The IUPAC name of thiohypofluorous acid;toluene (CID 87601176) is thiohypofluorous acid;toluene.
What is the SMILES notation for thiohypofluorous acid;toluene?
The canonical SMILES for thiohypofluorous acid;toluene is Cc1ccccc1.FS.
What is the InChIKey of thiohypofluorous acid;toluene?
The InChIKey is JZRAGGVVGLXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.FHS/c1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2H.
What are the key properties of thiohypofluorous acid;toluene?
thiohypofluorous acid;toluene has a molecular weight of 144.21 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiohypofluorous acid;toluene is sourced from PubChem (CID 87601176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).