butyl fluoromethanedithioate

C5H9FS2 — CID 134917051

IUPACbutyl fluoromethanedithioate
SMILESCCCCSC(F)=S
InChIInChI=1S/C5H9FS2/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKeyWJHMQFVHFOQOSZ-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.77
Rot. Bonds3

About butyl fluoromethanedithioate

butyl fluoromethanedithioate (PubChem CID 134917051) has the molecular formula C5H9FS2 and a molecular weight of 152.26 g/mol. Its IUPAC name is butyl fluoromethanedithioate.

Molecular Properties

Compound Namebutyl fluoromethanedithioate
PubChem CID134917051
Molecular FormulaC5H9FS2
Molecular Weight152.26 g/mol
Exact Mass152.01
IUPAC Namebutyl fluoromethanedithioate
SMILESCCCCSC(F)=S
InChIInChI=1S/C5H9FS2/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKeyWJHMQFVHFOQOSZ-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl fluoromethanedithioate?
The IUPAC name of butyl fluoromethanedithioate (CID 134917051) is butyl fluoromethanedithioate.
What is the SMILES notation for butyl fluoromethanedithioate?
The canonical SMILES for butyl fluoromethanedithioate is CCCCSC(F)=S.
What is the InChIKey of butyl fluoromethanedithioate?
The InChIKey is WJHMQFVHFOQOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS2/c1-2-3-4-8-5(6)7/h2-4H2,1H3.
What are the key properties of butyl fluoromethanedithioate?
butyl fluoromethanedithioate has a molecular weight of 152.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl fluoromethanedithioate is sourced from PubChem (CID 134917051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).