4H-1,4-Thiazine 1,1-dioxide

C₄H₅NO₂SCAS 40263-61-4131.15 g/mol

Open in Covalent MOL file

Alkene Secondary amine Sulfone

Properties

Molecular formula: C₄H₅NO₂S
Molar mass: 131.15 g/mol
Exact mass: 131.0041 Da
logP: -0.05Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

40263-61-4

SMILES

C1=CS(=O)(=O)C=CN1

InChIKey

NWLNAEYJAVKHGR-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NO2S/c6-8(7)3-1-5-2-4-8/h1-5H

Weigh it out

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

Names and synonyms

2 names

4H-1Lambda6,4-thiazine-1,1-dione
4H-1,4-Thiazin-1,1-dioxid

Reactions

4H-1,4-Thiazine 1,1-dioxideproduct

Work with 4H-1,4-Thiazine 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

Divinyl sulfone77-77-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethoxycarbonyl isothiocyanate16182-04-0 3-Methyl-1,3-thiazolidine-2,4-dione16312-21-3 Methyl 2-isothiocyanatoacetate21055-37-8 2-[(Cyanomethyl)sulfanyl]acetic acid55817-29-3

Elsewhere

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