1,1,2-trifluoropropane-2-thiol

C3H5F3S — CID 23432734

IUPAC1,1,2-trifluoropropane-2-thiol
SMILESCC(F)(S)C(F)F
InChIInChI=1S/C3H5F3S/c1-3(6,7)2(4)5/h2,7H,1H3
InChIKeyJEEBWICHGQCESZ-UHFFFAOYSA-N
MW130.13 g/mol
LogP1.87
Rot. Bonds1

About 1,1,2-trifluoropropane-2-thiol

1,1,2-trifluoropropane-2-thiol (PubChem CID 23432734) has the molecular formula C3H5F3S and a molecular weight of 130.13 g/mol. Its IUPAC name is 1,1,2-trifluoropropane-2-thiol.

Molecular Properties

Compound Name1,1,2-trifluoropropane-2-thiol
PubChem CID23432734
Molecular FormulaC3H5F3S
Molecular Weight130.13 g/mol
Exact Mass130.01
IUPAC Name1,1,2-trifluoropropane-2-thiol
SMILESCC(F)(S)C(F)F
InChIInChI=1S/C3H5F3S/c1-3(6,7)2(4)5/h2,7H,1H3
InChIKeyJEEBWICHGQCESZ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoropropane-2-thiol
CID 15587763
Difluoroethanethiol
CID 17911591
Tetrafluoropropanethiol
CID 88556177
1,1,2-Trifluoropropane-1-thiol
CID 17935413
1,1,2,2,3,3-Hexafluorobutane-1-thiol
CID 21652720
2-Fluoropropane-2-thiol
CID 22169519
2,2-Difluoropropane-1-thiol
CID 23297515
1,1,1-Trifluoro-2-methylpropane-2-thiol
CID 23432795
1,1-Difluoropropane-2-thione
CID 54138867
1,1-Difluoropropane-2-thiol
CID 57143277
1,1-Difluoropropane-1-thiol
CID 57219714
1,2-Difluoropropane-2-thiol
CID 57480114

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoropropane-2-thiol?
The IUPAC name of 1,1,2-trifluoropropane-2-thiol (CID 23432734) is 1,1,2-trifluoropropane-2-thiol.
What is the SMILES notation for 1,1,2-trifluoropropane-2-thiol?
The canonical SMILES for 1,1,2-trifluoropropane-2-thiol is CC(F)(S)C(F)F.
What is the InChIKey of 1,1,2-trifluoropropane-2-thiol?
The InChIKey is JEEBWICHGQCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S/c1-3(6,7)2(4)5/h2,7H,1H3.
What are the key properties of 1,1,2-trifluoropropane-2-thiol?
1,1,2-trifluoropropane-2-thiol has a molecular weight of 130.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoropropane-2-thiol is sourced from PubChem (CID 23432734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).