(3-Hydroxyphenyl)thiourea

C₇H₈N₂OSCAS 3394-05-6168.21 g/mol

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Properties

Molecular formula: C₇H₈N₂OS
Molar mass: 168.21 g/mol
Exact mass: 168.0357 Da
logP: 1.05Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

3394-05-6

SMILES

C1=CC(=CC(=C1)O)NC(=S)N

InChIKey

BHJYKFUCQNISJA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2OS/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)

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Names and synonyms

1 names

1-(3-Hydroxyphenyl)-2-thiourea

Work with (3-Hydroxyphenyl)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

3-(Trifluoromethyl)phenylthiourea1736-70-557 % similar 1-(3-Carboxyphenyl)-2-thiourea37182-75-556 % similar N-(3-Hydroxyphenyl)urea701-82-653 % similar 3,5-Dichlorophenylthiourea107707-33-549 % similar 3-Hydroxy-thiobenzamide104317-54-647 % similar 3-Hydroxydiphenylamine101-18-847 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-742 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-542 % similar

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

Same formula

N-(4-Hydroxyphenyl)thiourea1520-27-0 2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one17583-10-7

Elsewhere

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