O-(1,1,2-trifluoroethyl) methanethioate

C3H3F3OS — CID 173117073

IUPACO-(1,1,2-trifluoroethyl) methanethioate
SMILESFCC(F)(F)OC=S
InChIInChI=1S/C3H3F3OS/c4-1-3(5,6)7-2-8/h2H,1H2
InChIKeyUTZBSVUEFJIILK-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.52
Rot. Bonds3

About O-(1,1,2-trifluoroethyl) methanethioate

O-(1,1,2-trifluoroethyl) methanethioate (PubChem CID 173117073) has the molecular formula C3H3F3OS and a molecular weight of 144.12 g/mol. Its IUPAC name is O-(1,1,2-trifluoroethyl) methanethioate.

Molecular Properties

Compound NameO-(1,1,2-trifluoroethyl) methanethioate
PubChem CID173117073
Molecular FormulaC3H3F3OS
Molecular Weight144.12 g/mol
Exact Mass143.99
IUPAC NameO-(1,1,2-trifluoroethyl) methanethioate
SMILESFCC(F)(F)OC=S
InChIInChI=1S/C3H3F3OS/c4-1-3(5,6)7-2-8/h2H,1H2
InChIKeyUTZBSVUEFJIILK-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87599536
CID 87599536
CID 123425551
CID 123425551
CID 102256303
CID 102256303

Frequently Asked Questions

What is the IUPAC name of O-(1,1,2-trifluoroethyl) methanethioate?
The IUPAC name of O-(1,1,2-trifluoroethyl) methanethioate (CID 173117073) is O-(1,1,2-trifluoroethyl) methanethioate.
What is the SMILES notation for O-(1,1,2-trifluoroethyl) methanethioate?
The canonical SMILES for O-(1,1,2-trifluoroethyl) methanethioate is FCC(F)(F)OC=S.
What is the InChIKey of O-(1,1,2-trifluoroethyl) methanethioate?
The InChIKey is UTZBSVUEFJIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3OS/c4-1-3(5,6)7-2-8/h2H,1H2.
What are the key properties of O-(1,1,2-trifluoroethyl) methanethioate?
O-(1,1,2-trifluoroethyl) methanethioate has a molecular weight of 144.12 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,1,2-trifluoroethyl) methanethioate is sourced from PubChem (CID 173117073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).