Carbimazole

C₇H₁₀N₂O₂SCAS 22232-54-8186.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
Melting point: 123.5 °C
logP: 1.56Crippen estimate
Polar surface area: 36.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed18.6% of notifiers
H317 May cause an allergic skin reaction14% of notifiers
H319 Causes serious eye irritation18.6% of notifiers
H360 May damage fertility or the unborn child81.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure81.4% of notifiers
H400 Very toxic to aquatic life81.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects81.4% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

22232-54-8

SMILES

CCOC(=O)n1ccn(C)c1=S

InChIKey

CFOYWRHIYXMDOT-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all

1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, ethyl ester
4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester
Tyrazol
1-Ethoxycarbonyl-3-methyl-2-thio-4-imidazoline
Ethyl 3-methyl-2-thioimidazoline-1-carboxylate
1-Methyl-3-carbethoxy-2-thioglyoxalone
Athyromazole
CG 1
3-Carbethoxymercapto-1-methylimidazole
Carbethoxymethimazole
3-Carbethoxythio-1-methylglyoxaline
3-Carbethoxythio-1-methyliminazole
Neomercazole
Ethyl 3-methyl-2-thioxo-δ4-imidazoline-1-carboxylate
Basolest
Carbimazol
neo-Thyreostat

Work with Carbimazole

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

1,3-Dimethylimidazole-2(3H)-thione6596-81-242 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-140 % similar 5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester61982-18-135 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-433 % similar Diethyl terephthalate636-09-933 % similar Diethyl azodicarboxylate1972-28-732 % similar 2-Ethoxycarbonylphenyl isothiocyanate99960-09-531 % similar Ethyl 1-methyl-1H-pyrazole-4-carboxylate85290-80-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile1187595-85-2 P-Toluenesulfonylhydrazide1576-35-8 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-0 Ethyl 2-amino-4-thiazoleacetate53266-94-7 4-Amino-3-methylbenzene-1-sulfonamide53297-70-4 3-Amino-4-methylbenzenesulfonamide6274-28-8 5-Amino-2-methylbenzenesulfonamide6973-09-7 Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-6

Elsewhere

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