[(Z)-benzylideneamino]thiourea

C8H9N3S — CID 5374647

IUPAC[(Z)-benzylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccccc1
InChIInChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6-
InChIKeyUYHCMAZIKNVDSX-POHAHGRESA-N
MW179.25 g/mol
LogP0.85
Rot. Bonds2

About [(Z)-benzylideneamino]thiourea

[(Z)-benzylideneamino]thiourea (PubChem CID 5374647) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is [(Z)-benzylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-benzylideneamino]thiourea
PubChem CID5374647
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name[(Z)-benzylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccccc1
InChIInChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6-
InChIKeyUYHCMAZIKNVDSX-POHAHGRESA-N
XLogP0.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-benzylideneamino]thiourea?
The IUPAC name of [(Z)-benzylideneamino]thiourea (CID 5374647) is [(Z)-benzylideneamino]thiourea.
What is the SMILES notation for [(Z)-benzylideneamino]thiourea?
The canonical SMILES for [(Z)-benzylideneamino]thiourea is NC(=S)N/N=C\c1ccccc1.
What is the InChIKey of [(Z)-benzylideneamino]thiourea?
The InChIKey is UYHCMAZIKNVDSX-POHAHGRESA-N. The full InChI is InChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6-.
What are the key properties of [(Z)-benzylideneamino]thiourea?
[(Z)-benzylideneamino]thiourea has a molecular weight of 179.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-benzylideneamino]thiourea is sourced from PubChem (CID 5374647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).