Thiomorpholine 1,1-dioxide hydrochloride

C₄H₁₀ClNO₂SCAS 59801-62-6171.64 g/mol

Open in Covalent MOL file

Secondary amine Sulfone

Properties

Molecular formula: C₄H₁₀ClNO₂S
Molar mass: 171.64 g/mol
Exact mass: 171.0121 Da
logP: -0.57Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed27.3% of notifiers
H312 Harmful in contact with skin27.3% of notifiers
H315 Causes skin irritation27.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled27.3% of notifiers
H335 May cause respiratory irritation27.3% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59801-62-6

SMILES

C1CS(=O)(=O)CCN1.Cl

InChIKey

UOMTVKMKHZMFMQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2S.ClH/c6-8(7)3-1-5-2-4-8;/h5H,1-4H2;1H

Weigh it out

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

Work with Thiomorpholine 1,1-dioxide hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiomorpholine 1,1-dioxide39093-93-1Free base

Similar compounds

Cyclen tetrahydrochloride10045-25-744 % similar Piperazine hydrochloride142-64-344 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-144 % similar 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride116529-31-842 % similar Sulfolane126-33-040 % similar Azetidine hydrochloride36520-39-540 % similar Triethylenetetramine dihydrochloride38260-01-439 % similar Cuprior4961-40-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methanesulfonylazetidine hydrochloride1400764-60-4 (R)-2-Methylcysteine hydrochloride148766-37-4 (S)-2-Methylcysteine hydrochloride151062-55-4 Methyl cysteinate hydrochloride18598-63-5

Elsewhere

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