Ethanesulfinate

HCID 277298

Notes Reactions

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Basic information

Standard SMILES: CCS(=O)[O-]
InChIKey: RQIFXTOWUNAUJC-UHFFFAOYSA-M
Molecular formula: C2H5O2S-
Average molar mass: 93.13 g/mol

Names & identifiers

Preferred name: Ethanesulfinate
IUPAC: ethanesulfinate

Names & synonyms

Ethanesulfinate44209-53-2SCHEMBL13703414SCHEMBL18952885SCHEMBL27605461ALBB-026504AKOS017258929

Database identifiers

PubChem CID: 277298
Nikkaji: J2.325.361E

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 59.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: -1
Complexity: 37.4

Related reactions

3 records

New reaction record

HRID 160387 reaction equation

HRID 160387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 681391 reaction equation

HRID 681391As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1224541 reaction equation

HRID 1224541As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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