benzyl fluoromethanedithioate

C8H7FS2 — CID 86093490

IUPACbenzyl fluoromethanedithioate
SMILESFC(=S)SCc1ccccc1
InChIInChI=1S/C8H7FS2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHMKOCHNUGPLIRX-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.17
Rot. Bonds2

About benzyl fluoromethanedithioate

benzyl fluoromethanedithioate (PubChem CID 86093490) has the molecular formula C8H7FS2 and a molecular weight of 186.28 g/mol. Its IUPAC name is benzyl fluoromethanedithioate.

Molecular Properties

Compound Namebenzyl fluoromethanedithioate
PubChem CID86093490
Molecular FormulaC8H7FS2
Molecular Weight186.28 g/mol
Exact Mass186.00
IUPAC Namebenzyl fluoromethanedithioate
SMILESFC(=S)SCc1ccccc1
InChIInChI=1S/C8H7FS2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHMKOCHNUGPLIRX-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl fluoromethanedithioate?
The IUPAC name of benzyl fluoromethanedithioate (CID 86093490) is benzyl fluoromethanedithioate.
What is the SMILES notation for benzyl fluoromethanedithioate?
The canonical SMILES for benzyl fluoromethanedithioate is FC(=S)SCc1ccccc1.
What is the InChIKey of benzyl fluoromethanedithioate?
The InChIKey is HMKOCHNUGPLIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FS2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of benzyl fluoromethanedithioate?
benzyl fluoromethanedithioate has a molecular weight of 186.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl fluoromethanedithioate is sourced from PubChem (CID 86093490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).