3-Amino-1-(4-methylphenyl)thiourea

C₈H₁₁N₃SCAS 13278-67-6181.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁N₃S
Molar mass: 181.26 g/mol
Exact mass: 181.0674 Da
logP: 1.16Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

13278-67-6

SMILES

CC1=CC=C(C=C1)NC(=S)NN

InChIKey

IEAWRKQVDLFINI-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3S/c1-6-2-4-7(5-3-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)

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Names and synonyms

1 names

4-(4-Methylphenyl)-3-thiosemicarbazide

Work with 3-Amino-1-(4-methylphenyl)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,N′-Bis(4-methylphenyl)thiourea621-01-274 % similar (4-Methylphenyl)hydrazine539-44-648 % similar 4-Methylphenylhydrazine hydrochloride637-60-544 % similar 4-Methylbenzohydrazide3619-22-543 % similar N-(4-Methylphenyl)urea622-51-543 % similar (4-Methylphenyl)thiourea622-52-643 % similar Bis(4-methylphenyl)amine620-93-941 % similar Methyl N-(4-methylphenyl)carbamate5602-96-041 % similar

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

Same formula

4-Benzylthiosemicarbazide13431-41-9 N-(2-Methylphenyl)hydrazinecarbothioamide614-10-8

Elsewhere

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