N-(2,6-Dichlorophenyl)thiourea

C₇H₆Cl₂N₂SCAS 6590-91-6221.10 g/mol

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Properties

Molecular formula: C₇H₆Cl₂N₂S
Molar mass: 221.10 g/mol
Exact mass: 219.9629 Da
logP: 2.65Crippen estimate
Polar surface area: 38.0 Å²
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. Search the SDS library

Identifiers

CAS number

6590-91-6

SMILES

C1=CC(=C(C(=C1)Cl)NC(=S)N)Cl

InChIKey

KUQHRGMPBWZVQR-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)

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Names and synonyms

1 names

2,6-Dichlorophenylthiourea

Work with N-(2,6-Dichlorophenyl)thiourea

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)thiourea31118-87-372 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-250 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-950 % similar (3-Hydroxyphenyl)thiourea3394-05-649 % similar 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide13124-09-947 % similar N-(2,4,6-Trimethylphenyl)thiourea91059-97-147 % similar 3-(Trifluoromethyl)phenylthiourea1736-70-546 % similar 1-(2-Bromophenyl)-2-thiourea5391-30-044 % similar

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

Same formula

3,5-Dichlorophenylthiourea107707-33-5 N-(3,4-Dichlorophenyl)thiourea19250-09-0 2,4-Dichlorophenylthiourea6326-14-3

Elsewhere

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