Trimethylsulfoxonium

HCID 74499CAS 47987-92-8

Substructure search Find similar structures

Basic information

Standard SMILES: C[S+](C)(C)=O
InChIKey: YRYSAWZMIRQUBO-UHFFFAOYSA-N
Molecular formula: C3H9OS+
Average molar mass: 93.17 g/mol
Monoisotopic mass: 93.03741108

Names & identifiers

Preferred name: Trimethylsulfoxonium

Names & synonyms

trimethylsulfoxonium47987-92-8CHEMBL1183173SCHEMBL29566454YRYSAWZMIRQUBO-UHFFFAOYSA-DTXSID30275729YRYSAWZMIRQUBO-UHFFFAOYSA-NNS00040834InChI=1/C3H9OS/c1-5(2,3)4/h1-3H3/q+1

Database identifiers

CAS: 47987-92-8
PubChem CID: 74499
DTXSID: DTXSID30275729
ChEMBL: CHEMBL1183173
Nikkaji: J712.959I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 18.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 1
Complexity: 53

Related reactions

208 records

New reaction record

HRID 88337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 89176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100402As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100616As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102288As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102892As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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