Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

C₆H₁₀O₄SCAS 64096-87-3178.20 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfone

Properties

Molecular formula: C₆H₁₀O₄S
Molar mass: 178.20 g/mol
Exact mass: 178.0300 Da
Melting point: 194–196 °C
logP: -0.10Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

64096-87-3

SMILES

O=C(O)C1CCS(=O)(=O)CC1

InChIKey

RPJRJUVGGDVVDF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2H-Thiopyran-4-carboxylic acid, tetrahydro-, 1,1-dioxide
1,1-Dioxohexahydrothiopyran-4-carboxylic acid
1,1-Dioxido-tetrahydro-2H-thiopyran-4-carboxylic acid
Tetrahydrothiopyran-4-carboxylic acid 1,1-dioxide
1,1-Dioxo-1λ6-thiane-4-carboxylic acid

Work with Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Cyclohexanedicarboxylic acid1076-97-761 % similar Cyclopropanecarboxylic acid1759-53-161 % similar 1,4-Cyclohexanedicarboxylic acid619-81-861 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-961 % similar Cyclopentanecarboxylic acid3400-45-156 % similar Cyclobutanecarboxylic acid3721-95-756 % similar Cycloheptanecarboxylic acid1460-16-854 % similar Cyclohexanecarboxylic acid98-89-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Thiodipropionic acid111-17-1 1,1′-Dimethyl 2,2′-thiobis[acetate]16002-29-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook