[(Z)-(2-methoxyphenyl)methylideneamino]thiourea

C9H11N3OS — CID 5356965

IUPAC[(Z)-(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1/C=N\NC(N)=S
InChIInChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6-
InChIKeyLHIPHJZPFNPALV-WDZFZDKYSA-N
MW209.27 g/mol
LogP0.86
Rot. Bonds3

About [(Z)-(2-methoxyphenyl)methylideneamino]thiourea

[(Z)-(2-methoxyphenyl)methylideneamino]thiourea (PubChem CID 5356965) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [(Z)-(2-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(2-methoxyphenyl)methylideneamino]thiourea
PubChem CID5356965
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[(Z)-(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1/C=N\NC(N)=S
InChIInChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6-
InChIKeyLHIPHJZPFNPALV-WDZFZDKYSA-N
XLogP0.86
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(2-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(2-methoxyphenyl)methylideneamino]thiourea (CID 5356965) is [(Z)-(2-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(2-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(2-methoxyphenyl)methylideneamino]thiourea is COc1ccccc1/C=N\NC(N)=S.
What is the InChIKey of [(Z)-(2-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is LHIPHJZPFNPALV-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6-.
What are the key properties of [(Z)-(2-methoxyphenyl)methylideneamino]thiourea?
[(Z)-(2-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 209.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 5356965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).