3,5-Dichlorophenylthiourea

C7H6Cl2N2SCAS 107707-33-5221.10 g/mol

Open in Covalent MOL file
ClClNHSNH2
Aryl halide

Properties

Molecular formula
C7H6Cl2N2S
Molar mass
221.10 g/mol
Exact mass
219.9629 Da
logP
2.65Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
107707-33-5
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=S)N
InChIKey
BNJARXOEVLYKDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2N2S/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12)

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Work with 3,5-Dichlorophenylthiourea

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

N-(2,4,6-Trichlorophenyl)thiourea31118-87-361 % similar 3,5-Dimethylphenylthiourea97480-60-955 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-552 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-950 % similar (3-Hydroxyphenyl)thiourea3394-05-649 % similar 3,5-Dichlorophenylhydrazine39943-56-146 % similar 3-(Trifluoromethyl)phenylthiourea1736-70-546 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3,4-Dichlorophenyl)thiourea19250-09-0 2,4-Dichlorophenylthiourea6326-14-3 N-(2,6-Dichlorophenyl)thiourea6590-91-6

Elsewhere

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