1,2-difluoropropane-2-thiol

C3H6F2S — CID 57480114

IUPAC1,2-difluoropropane-2-thiol
SMILESCC(F)(S)CF
InChIInChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3
InChIKeyJDOQUCDYVHCBOV-UHFFFAOYSA-N
MW112.14 g/mol
LogP1.57
Rot. Bonds1

About 1,2-difluoropropane-2-thiol

1,2-difluoropropane-2-thiol (PubChem CID 57480114) has the molecular formula C3H6F2S and a molecular weight of 112.14 g/mol. Its IUPAC name is 1,2-difluoropropane-2-thiol.

Molecular Properties

Compound Name1,2-difluoropropane-2-thiol
PubChem CID57480114
Molecular FormulaC3H6F2S
Molecular Weight112.14 g/mol
Exact Mass112.02
IUPAC Name1,2-difluoropropane-2-thiol
SMILESCC(F)(S)CF
InChIInChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3
InChIKeyJDOQUCDYVHCBOV-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 51.57
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

Difluoroethanethiol
CID 17911591
Tetrafluoropropanethiol
CID 88556177
1,1,2-Trifluoropropane-1-thiol
CID 17935413
2-Fluoropropane-2-thiol
CID 22169519
1,1,2-Trifluoropropane-2-thiol
CID 23432734
1,1-Difluoropropane-1-thiol
CID 57219714
(2R)-1,2-difluoropropane-2-thiol
CID 87189392
(2S)-1,2-difluoropropane-2-thiol
CID 87189761
1,1,2-Trifluorobutane-1-thiol
CID 88181876
2-Fluoropropan-2-yl thiohypofluorite
CID 90071168
(Z)-1,2-difluoroprop-1-ene-1-thiol
CID 118479985
1-Fluoropropane-1,1-dithiol
CID 140145919

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoropropane-2-thiol?
The IUPAC name of 1,2-difluoropropane-2-thiol (CID 57480114) is 1,2-difluoropropane-2-thiol.
What is the SMILES notation for 1,2-difluoropropane-2-thiol?
The canonical SMILES for 1,2-difluoropropane-2-thiol is CC(F)(S)CF.
What is the InChIKey of 1,2-difluoropropane-2-thiol?
The InChIKey is JDOQUCDYVHCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3.
What are the key properties of 1,2-difluoropropane-2-thiol?
1,2-difluoropropane-2-thiol has a molecular weight of 112.14 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoropropane-2-thiol is sourced from PubChem (CID 57480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).