Diazald

C₈H₁₀N₂O₃SCAS 80-11-5214.24 g/mol

Open in Covalent MOL file

Sulfonamide

Properties

Molecular formula: C₈H₁₀N₂O₃S
Molar mass: 214.24 g/mol
Exact mass: 214.0412 Da
Melting point: 62 °C
logP: 1.30Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H242 Heating may cause a fire90.9% of notifiers
H315 Causes skin irritation97.7% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

80-11-5

SMILES

Cc1ccc(S(=O)(=O)N(C)N=O)cc1

InChIKey

FFKZOUIEAHOBHW-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

10 names

Benzenesulfonamide, N,4-dimethyl-N-nitroso-
p-Toluenesulfonamide, N-methyl-N-nitroso-
N,4-Dimethyl-N-nitrosobenzenesulfonamide
N-Methyl-N-nitroso-p-toluenesulfonamide
p-Tolylsulfonylmethylnitrosamide
N-Nitroso-N-methyl-p-toluenesulfonamide
Diazale
N-Methyl-N-nitroso-4-tosylamide
N-Methyl-N-nitrosotoluene-4-sulfonamide
NSC 313

Reactions

p-TOLYLSULFONYLMETHYLNITROSAMIDE (p-Toluenesulfonamide, N-methyl-N-nitroso-)product

Work with Diazald

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

N-Tosyl-2,5-dihydropyrrole16851-72-249 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-046 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-246 % similar P-Toluenesulfonic acid104-15-440 % similar 4-Methylbenzenesulfonyl fluoride455-16-340 % similar P-Toluenesulfonamide70-55-340 % similar 4-Toluenesulfonyl chloride98-59-940 % similar P-Toluenesulfonyl isocyanate4083-64-138 % similar

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

Same formula

Acetylsulfanilamide121-61-9 Sulfacetamide144-80-9 Tosylurea1694-06-0 7-Aminodeacetoxycephalosporanic acid22252-43-3 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid26395-99-3 Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate53554-29-3 Ethyl 2-(formylamino)-4-thiazoleacetate64987-05-9

Elsewhere

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