4-(2,4-Dichlorophenyl)-3-thiosemicarbazide

C7H7Cl2N3SCAS 13124-11-3236.11 g/mol

Open in Covalent MOL file
ClClHNSHNNH2
Aryl halidePrimary amine

Properties

Molecular formula
C7H7Cl2N3S
Molar mass
236.11 g/mol
Exact mass
234.9738 Da
logP
2.15Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13124-11-3
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NN
InChIKey
PEWKSNLNCRYBNV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)

Weigh it out

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

Names and synonyms

1 names
  • 3-Amino-1-(2,4-dichlorophenyl)thiourea

Work with 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide

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

2,4-Dichlorophenylthiourea6326-14-362 % similar 4-(4-Chlorophenyl)-3-thiosemicarbazide22814-92-258 % similar 2,4-Dichlorophenylhydrazine13123-92-756 % similar 2,4-Dichlorophenylhydrazine hydrochloride5446-18-451 % similar 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-748 % similar 2,4-Dichlorobenzhydrazide5814-06-246 % similar 4-(2-Fluorophenyl)-3-thiosemicarbazide38985-72-744 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide13124-09-9

Elsewhere

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