1,1,1,2,3,3-hexafluoropropane-2-thiol

C3H2F6S — CID 23432728

IUPAC1,1,1,2,3,3-hexafluoropropane-2-thiol
SMILESFC(F)C(F)(S)C(F)(F)F
InChIInChI=1S/C3H2F6S/c4-1(5)2(6,10)3(7,8)9/h1,10H
InChIKeyGIXMLCWXFLFPIS-UHFFFAOYSA-N
MW184.10 g/mol
LogP2.41
Rot. Bonds1

About 1,1,1,2,3,3-hexafluoropropane-2-thiol

1,1,1,2,3,3-hexafluoropropane-2-thiol (PubChem CID 23432728) has the molecular formula C3H2F6S and a molecular weight of 184.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropane-2-thiol.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropane-2-thiol
PubChem CID23432728
Molecular FormulaC3H2F6S
Molecular Weight184.10 g/mol
Exact Mass183.98
IUPAC Name1,1,1,2,3,3-hexafluoropropane-2-thiol
SMILESFC(F)C(F)(S)C(F)(F)F
InChIInChI=1S/C3H2F6S/c4-1(5)2(6,10)3(7,8)9/h1,10H
InChIKeyGIXMLCWXFLFPIS-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 52.41
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

Tetrafluoropropanethioyl fluoride
CID 14597054
1,1,2,2,3,3,3-Heptafluoro-1-propanethiol
CID 17787403
1,1,1,3,3,3-Hexafluoropropane-2-thiol
CID 20289257
1,1,2,2-Tetrafluoroethanethiol
CID 21652722
Trifluoropropanethioyl fluoride
CID 23035803
1,1,2-Trifluoroethanethiol
CID 23432830
Tetrafluoropropanethiol
CID 88556177
1,1,1,2,3,3,3-Heptafluoropropane-2-thiol
CID 20225810
Hexafluoropropanesulfenyl chloride
CID 12078775
Pentafluorothioacetone
CID 129809442
Octafluoroisobutyl mercaptan
CID 129810237
2,2,3,3,3-Pentafluoropropane-1-thiol
CID 17787412

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropane-2-thiol?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropane-2-thiol (CID 23432728) is 1,1,1,2,3,3-hexafluoropropane-2-thiol.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropane-2-thiol?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropane-2-thiol is FC(F)C(F)(S)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropane-2-thiol?
The InChIKey is GIXMLCWXFLFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6S/c4-1(5)2(6,10)3(7,8)9/h1,10H.
What are the key properties of 1,1,1,2,3,3-hexafluoropropane-2-thiol?
1,1,1,2,3,3-hexafluoropropane-2-thiol has a molecular weight of 184.10 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropane-2-thiol is sourced from PubChem (CID 23432728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).