propan-2-yl fluoromethanedithioate

C4H7FS2 — CID 101441302

IUPACpropan-2-yl fluoromethanedithioate
SMILESCC(C)SC(F)=S
InChIInChI=1S/C4H7FS2/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKeyBQQHXJFCYUWXEO-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.38
Rot. Bonds1

About propan-2-yl fluoromethanedithioate

propan-2-yl fluoromethanedithioate (PubChem CID 101441302) has the molecular formula C4H7FS2 and a molecular weight of 138.23 g/mol. Its IUPAC name is propan-2-yl fluoromethanedithioate.

Molecular Properties

Compound Namepropan-2-yl fluoromethanedithioate
PubChem CID101441302
Molecular FormulaC4H7FS2
Molecular Weight138.23 g/mol
Exact Mass138.00
IUPAC Namepropan-2-yl fluoromethanedithioate
SMILESCC(C)SC(F)=S
InChIInChI=1S/C4H7FS2/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKeyBQQHXJFCYUWXEO-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.38
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 propan-2-yl fluoromethanedithioate?
The IUPAC name of propan-2-yl fluoromethanedithioate (CID 101441302) is propan-2-yl fluoromethanedithioate.
What is the SMILES notation for propan-2-yl fluoromethanedithioate?
The canonical SMILES for propan-2-yl fluoromethanedithioate is CC(C)SC(F)=S.
What is the InChIKey of propan-2-yl fluoromethanedithioate?
The InChIKey is BQQHXJFCYUWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FS2/c1-3(2)7-4(5)6/h3H,1-2H3.
What are the key properties of propan-2-yl fluoromethanedithioate?
propan-2-yl fluoromethanedithioate has a molecular weight of 138.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl fluoromethanedithioate is sourced from PubChem (CID 101441302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).