chempirical

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

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)

Weigh it out

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

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

(3,5-Dichlorophenyl)hydrazine hydrochloride63352-99-842 % similar 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide13124-09-939 % similar 1,3,5-Trichlorobenzene108-70-338 % similar 3,5-Dichloroaniline626-43-734 % similar (2,4,6-Trichlorophenyl)hydrazine5329-12-431 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-531 % similar N-m-Chlorophenylbiguanide hydrochloride2113-05-531 % similar 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(3,4-Dichlorophenyl)thiourea19250-09-0

Elsewhere

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