(1R)-1-chloro-1-ethylsulfonylethane

C4H9ClO2S — CID 94036814

IUPAC(1R)-1-chloro-1-ethylsulfonylethane
SMILESCCS(=O)(=O)[C@@H](C)Cl
InChIInChI=1S/C4H9ClO2S/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyPPLPUQSDHSUTOX-BYPYZUCNSA-N
MW156.63 g/mol
LogP1.01
Rot. Bonds2

About (1R)-1-chloro-1-ethylsulfonylethane

(1R)-1-chloro-1-ethylsulfonylethane (PubChem CID 94036814) has the molecular formula C4H9ClO2S and a molecular weight of 156.63 g/mol. Its IUPAC name is (1R)-1-chloro-1-ethylsulfonylethane.

Molecular Properties

Compound Name(1R)-1-chloro-1-ethylsulfonylethane
PubChem CID94036814
Molecular FormulaC4H9ClO2S
Molecular Weight156.63 g/mol
Exact Mass156.00
IUPAC Name(1R)-1-chloro-1-ethylsulfonylethane
SMILESCCS(=O)(=O)[C@@H](C)Cl
InChIInChI=1S/C4H9ClO2S/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyPPLPUQSDHSUTOX-BYPYZUCNSA-N
XLogP1.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.63
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-1-ethylsulfonylbutane
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(2R)-2-chloro-2-ethylsulfonylacetonitrile
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3-ethylsulfonyl-N-methylbutan-2-amine
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2-ethylsulfonylhexane-3-thiol
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1-chloro-1-(1-chlorobutylsulfonyl)butane
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-chloro-1-ethylsulfonylethane?
The IUPAC name of (1R)-1-chloro-1-ethylsulfonylethane (CID 94036814) is (1R)-1-chloro-1-ethylsulfonylethane.
What is the SMILES notation for (1R)-1-chloro-1-ethylsulfonylethane?
The canonical SMILES for (1R)-1-chloro-1-ethylsulfonylethane is CCS(=O)(=O)[C@@H](C)Cl.
What is the InChIKey of (1R)-1-chloro-1-ethylsulfonylethane?
The InChIKey is PPLPUQSDHSUTOX-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9ClO2S/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1R)-1-chloro-1-ethylsulfonylethane?
(1R)-1-chloro-1-ethylsulfonylethane has a molecular weight of 156.63 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-chloro-1-ethylsulfonylethane is sourced from PubChem (CID 94036814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).