Ethyl ((4-methylphenyl)sulphonyl)carbamate

C₁₀H₁₃NO₄SCAS 5577-13-9243.28 g/mol

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Properties

Molecular formula: C₁₀H₁₃NO₄S
Molar mass: 243.28 g/mol
Exact mass: 243.0565 Da
Melting point: 87–88 °C
logP: 1.63Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation20% of notifiers
H412 Harmful to aquatic life with long lasting effects40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5577-13-9

SMILES

CCOC(O)=NS(=O)(=O)c1ccc(C)cc1

InChIKey

DFWQXANLGSXMKF-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)

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Names and synonyms

12 names

Ethyl N-[(4-methylphenyl)sulfonyl]carbamate
Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, ethyl ester
Carbamic acid, (p-tolylsulfonyl)-, ethyl ester
Carbamic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester
Ethyl p-tosylcarbamate
Ethyl (p-toluenesulfonyl)carbamate
Ethyl (p-tolylsulfonyl)carbamate
Tosylurethane
Ethyl N-(4-methylbenzenesulfonyl)carbamate
N-Tosylurethane
Ethyl N-tosylcarbamate
Ethyl tosylcarbamate

Work with Ethyl ((4-methylphenyl)sulphonyl)carbamate

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

Asulam3337-71-148 % similar Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester1869118-24-047 % similar Ethyl p-toluenesulfonate80-40-045 % similar Ethyl N-phenylcarbamate101-99-543 % similar p-Toluenesulfonyl isocyanate4083-64-142 % similar Ethyl 4-methylbenzoate94-08-642 % similar Tosyl azide941-55-941 % similar Thiophanate23564-06-940 % similar

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

Same formula

2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-5 Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook