S-hydroxy 2-chloro-2,2-difluoroethanethioate

C2HClF2O2S — CID 142666375

IUPACS-hydroxy 2-chloro-2,2-difluoroethanethioate
SMILESO=C(SO)C(F)(F)Cl
InChIInChI=1S/C2HClF2O2S/c3-2(4,5)1(6)8-7/h7H
InChIKeyGOWLXXZVZPDQCF-UHFFFAOYSA-N
MW162.54 g/mol
LogP1.55
Rot. Bonds1

About S-hydroxy 2-chloro-2,2-difluoroethanethioate

S-hydroxy 2-chloro-2,2-difluoroethanethioate (PubChem CID 142666375) has the molecular formula C2HClF2O2S and a molecular weight of 162.54 g/mol. Its IUPAC name is S-hydroxy 2-chloro-2,2-difluoroethanethioate.

Molecular Properties

Compound NameS-hydroxy 2-chloro-2,2-difluoroethanethioate
PubChem CID142666375
Molecular FormulaC2HClF2O2S
Molecular Weight162.54 g/mol
Exact Mass161.94
IUPAC NameS-hydroxy 2-chloro-2,2-difluoroethanethioate
SMILESO=C(SO)C(F)(F)Cl
InChIInChI=1S/C2HClF2O2S/c3-2(4,5)1(6)8-7/h7H
InChIKeyGOWLXXZVZPDQCF-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

CID 87918969
CID 87918969
magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717
magnesium bis(2-chloro-2,2-difluoroacetate)
CID 87738116
lithium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173193324
2,2-dichloro-3,3,3-trifluoropropanethioic S-acid
CID 71333565
1-chloro-1,1-difluoro-3,3-dimethylbutan-2-one
CID 112574715
acetic acid;chloro(trifluoro)methane
CID 88651424
S-(2,2,2-trifluoroacetyl) 2,2,2-trifluoroethanethioate
CID 14784660
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)
CID 121233183
2-chloro-N,2,2-trifluoroethanimidoyl fluoride
CID 23233687
2-chloro-1-cyclopropyl-2,2-difluoroethanone
CID 112574621

Frequently Asked Questions

What is the IUPAC name of S-hydroxy 2-chloro-2,2-difluoroethanethioate?
The IUPAC name of S-hydroxy 2-chloro-2,2-difluoroethanethioate (CID 142666375) is S-hydroxy 2-chloro-2,2-difluoroethanethioate.
What is the SMILES notation for S-hydroxy 2-chloro-2,2-difluoroethanethioate?
The canonical SMILES for S-hydroxy 2-chloro-2,2-difluoroethanethioate is O=C(SO)C(F)(F)Cl.
What is the InChIKey of S-hydroxy 2-chloro-2,2-difluoroethanethioate?
The InChIKey is GOWLXXZVZPDQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2S/c3-2(4,5)1(6)8-7/h7H.
What are the key properties of S-hydroxy 2-chloro-2,2-difluoroethanethioate?
S-hydroxy 2-chloro-2,2-difluoroethanethioate has a molecular weight of 162.54 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-hydroxy 2-chloro-2,2-difluoroethanethioate is sourced from PubChem (CID 142666375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).