P-Toluenesulfonylsemicarbazide

C₈H₁₁N₃O₃SCAS 10396-10-8229.25 g/mol

Open in Covalent MOL file

Sulfonamide

Properties

Molecular formula: C₈H₁₁N₃O₃S
Molar mass: 229.25 g/mol
Exact mass: 229.0521 Da
Melting point: 236 °C
logP: 0.27Crippen estimate
Polar surface area: 102.3 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H319 Causes serious eye irritation23.8% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 21 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, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10396-10-8

SMILES

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

InChIKey

VRFNYSYURHAPFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)

Weigh it out

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

Names and synonyms

10 names

Benzenesulfonic acid, 4-methyl-, 2-(aminocarbonyl)hydrazide
1-Tosylsemicarbazide
Blo foam RA
Blowing agent RA
Foaming agent RA
[(4-Methylphenyl)sulfonylamino]urea
Semicarbazide, 1-(p-tolylsulfonyl)-
Celogen RA
1-(p-Tolylsulfonyl)semicarbazide
Unicell TS

Work with P-Toluenesulfonylsemicarbazide

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

Tosylurea1694-06-072 % similar N-((4-Methylphenyl)sulfonyl)glycine1080-44-049 % similar N-Methyl-p-toluenesulfonamide640-61-949 % similar P-Toluenesulfonylhydrazide1576-35-847 % similar N-(4-Methylphenyl)urea622-51-547 % similar N-Ethyl-4-methylbenzenesulfonamide80-39-746 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-844 % similar N-((4-Methylphenyl)sulfonyl)-L-phenylalanine13505-32-343 % similar

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

Same formula

2-Aminosulfonyl-N,N-dimethylnicotinamide112006-75-4 Lamivudine134678-17-4 Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate64485-88-7

Elsewhere

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