4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione

C₁₀H₁₀N₂O₂SCAS 327036-89-5222.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀N₂O₂S
Molar mass: 222.26 g/mol
Exact mass: 222.0463 Da
logP: 0.66Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number

327036-89-5

SMILES

CN1C(=O)N(C(=O)S1)CC2=CC=CC=C2

InChIKey

JDSJDASOXWCHPN-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

Tdzd-8

Work with 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione

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

Tideglusib865854-05-353 % similar N-Benzylisatoic anhydride35710-05-535 % similar 2-Methyl-1,2-benzothiazol-3(2H)-one2527-66-433 % similar N-Benzylpyrrole2051-97-032 % similar 2-Amino-1-benzylbenzimidazole43182-10-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(p-Toluenesulfonyl)imidazole2232-08-8 2-Amino-6-carbethoxybenzothiazole50850-93-6 3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester56891-69-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook