1,2-difluoroethanethiol

C2H4F2S — CID 56985558

IUPAC1,2-difluoroethanethiol
SMILESFCC(F)S
InChIInChI=1S/C2H4F2S/c3-1-2(4)5/h2,5H,1H2
InChIKeyGIESGYZEMFEGNE-UHFFFAOYSA-N
MW98.12 g/mol
LogP1.18
Rot. Bonds1

About 1,2-difluoroethanethiol

1,2-difluoroethanethiol (PubChem CID 56985558) has the molecular formula C2H4F2S and a molecular weight of 98.12 g/mol. Its IUPAC name is 1,2-difluoroethanethiol.

Molecular Properties

Compound Name1,2-difluoroethanethiol
PubChem CID56985558
Molecular FormulaC2H4F2S
Molecular Weight98.12 g/mol
Exact Mass98.00
IUPAC Name1,2-difluoroethanethiol
SMILESFCC(F)S
InChIInChI=1S/C2H4F2S/c3-1-2(4)5/h2,5H,1H2
InChIKeyGIESGYZEMFEGNE-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 51.18
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

1,2,4-trifluorobutane-1-thiol
CID 139415886
azane;methane;1,1,2-trifluoroethane
CID 175460328
1,2-difluoro-1-iodoethane
CID 23510624
azane;1,1,2-trifluoroethane;hydroiodide
CID 175552617
2,3,4-trifluorobutane-1-thiol
CID 175124065
1,2,2,2-tetrafluoroethanethiol
CID 57068914
1-(18F)fluoropentane-2-thiol
CID 11701036
carbanide;1,2-difluoroethanol;rutherfordium
CID 58942634
1,1,7,7-tetrafluoroheptane
CID 87478513
1,7,8,8,8-pentafluoro-5-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-7-(trifluoromethyl)octane-1-thiol
CID 87159417
methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
CID 175260214
1,6-difluoroheptane
CID 139983024

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethanethiol?
The IUPAC name of 1,2-difluoroethanethiol (CID 56985558) is 1,2-difluoroethanethiol.
What is the SMILES notation for 1,2-difluoroethanethiol?
The canonical SMILES for 1,2-difluoroethanethiol is FCC(F)S.
What is the InChIKey of 1,2-difluoroethanethiol?
The InChIKey is GIESGYZEMFEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2S/c3-1-2(4)5/h2,5H,1H2.
What are the key properties of 1,2-difluoroethanethiol?
1,2-difluoroethanethiol has a molecular weight of 98.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethanethiol is sourced from PubChem (CID 56985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).