N-[4-(Dimethylamino)phenyl]thiourea

C₉H₁₃N₃SCAS 22283-43-8195.28 g/mol

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Tertiary amine Thiol

Properties

Molecular formula: C₉H₁₃N₃S
Molar mass: 195.28 g/mol
Exact mass: 195.0830 Da
Melting point: 180–181 °C
logP: 2.03Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Identifiers

CAS number

22283-43-8

SMILES

CN(C)c1ccc(NC(=N)S)cc1

InChIKey

IETJMRDFWVXWMR-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)

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Names and synonyms

5 names

Thiourea, N-[4-(dimethylamino)phenyl]-
Urea, 1-[p-(dimethylamino)phenyl]-2-thio-
Thiourea, [4-(dimethylamino)phenyl]-
[4-(Dimethylamino)phenyl]thiourea
1-[4-(Dimethylamino)phenyl]-2-thiourea

Work with N-[4-(Dimethylamino)phenyl]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-(4-Chlorophenyl)thiourea3696-23-959 % similar (4-Methylphenyl)thiourea622-52-659 % similar Phenylthiocarbamide103-85-555 % similar N-(4-Hydroxyphenyl)thiourea1520-27-055 % similar N-(4-Bromophenyl)thiourea2646-30-255 % similar N-(4-Fluorophenyl)thiourea459-05-255 % similar (4-Methoxyphenyl)thiourea2293-07-454 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-050 % similar

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

Same formula

N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-0

Elsewhere

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