[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

C9H11N3OS — CID 135523673

IUPAC[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(O)cc1
InChIInChI=1S/C9H11N3OS/c1-6(11-12-9(10)14)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H3,10,12,14)/b11-6-
InChIKeyBIEMWXMGBNTEMI-WDZFZDKYSA-N
MW209.27 g/mol
LogP0.95
Rot. Bonds2

About [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (PubChem CID 135523673) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
PubChem CID135523673
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(O)cc1
InChIInChI=1S/C9H11N3OS/c1-6(11-12-9(10)14)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H3,10,12,14)/b11-6-
InChIKeyBIEMWXMGBNTEMI-WDZFZDKYSA-N
XLogP0.95
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (CID 135523673) is [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc(O)cc1.
What is the InChIKey of [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is BIEMWXMGBNTEMI-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6(11-12-9(10)14)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H3,10,12,14)/b11-6-.
What are the key properties of [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
[(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 209.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-hydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135523673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).