[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea

C9H11N3O2S — CID 23024423

IUPAC[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11N3O2S/c1-5(11-12-9(10)15)6-2-7(13)4-8(14)3-6/h2-4,13-14H,1H3,(H3,10,12,15)/b11-5-
InChIKeyUUHSECIDYIREJK-WZUFQYTHSA-N
MW225.27 g/mol
LogP0.65
Rot. Bonds2

About [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea

[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea (PubChem CID 23024423) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
PubChem CID23024423
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11N3O2S/c1-5(11-12-9(10)15)6-2-7(13)4-8(14)3-6/h2-4,13-14H,1H3,(H3,10,12,15)/b11-5-
InChIKeyUUHSECIDYIREJK-WZUFQYTHSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1-phenylethylideneamino)thiourea
CID 912962
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 77059894
[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 139080292
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea (CID 23024423) is [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1cc(O)cc(O)c1.
What is the InChIKey of [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is UUHSECIDYIREJK-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5(11-12-9(10)15)6-2-7(13)4-8(14)3-6/h2-4,13-14H,1H3,(H3,10,12,15)/b11-5-.
What are the key properties of [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea?
[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 225.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 23024423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).