Thidiazuron

C₉H₈N₄OSCAS 51707-55-2220.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈N₄OS
Molar mass: 220.25 g/mol
Exact mass: 220.0419 Da
Melting point: 211 °C (decomposes)
pKa: 8.86
Water solubility: 20 mg/L (23 °C)
logP: 2.20Crippen estimate
Polar surface area: 70.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H312+H332 Harmful in contact with skin or if inhaled20.8% of notifiers
H312 Harmful in contact with skin76.6% of notifiers
H315 Causes skin irritation93.5% of notifiers
H319 Causes serious eye irritation93.5% of notifiers
H332 Harmful if inhaled72.7% of notifiers
H335 May cause respiratory irritation93.5% of notifiers
H400 Very toxic to aquatic life23.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects40.3% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

51707-55-2

SMILES

OC(=Nc1ccccc1)Nc1cnns1

InChIKey

HFCYZXMHUIHAQI-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

Weigh it out

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

Names and synonyms

15 names · show all

Urea, N-phenyl-N′-1,2,3-thiadiazol-5-yl-
1,2,3-Thiadiazole, urea deriv.
N-Phenyl-N′-1,2,3-thiadiazol-5-ylurea
SN 49537
Dropp
1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea
TAG (plant growth regulator)
TAG
TDZ
Lift
Dropp SC
Avguron
CCG-24904
Gross
1-Phenyl-3-(1,2,3-thiadiazole-5-yl)-urea

Work with Thidiazuron

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-Diphenylurea102-07-853 % similar Forchlorfenuron68157-60-846 % similar 4-Phenylsemicarbazide537-47-345 % similar N,N′,N′′-Triphenylguanidine101-01-936 % similar Thiocarbanilide102-08-933 % similar Acetanilide103-84-433 % similar Nicotinanilide1752-96-133 % similar N,N'-Diphenylbenzamidine2556-46-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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