[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea

C14H12FN3S — CID 46233012

IUPAC[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea
SMILESNC(=S)N/N=C(/c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H12FN3S/c15-12-9-5-4-8-11(12)13(17-18-14(16)19)10-6-2-1-3-7-10/h1-9H,(H3,16,18,19)/b17-13-
InChIKeyDYVZRTWWGDYCJA-LGMDPLHJSA-N
MW273.34 g/mol
LogP2.41
Rot. Bonds3

About [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea

[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea (PubChem CID 46233012) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea
PubChem CID46233012
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea
SMILESNC(=S)N/N=C(/c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H12FN3S/c15-12-9-5-4-8-11(12)13(17-18-14(16)19)10-6-2-1-3-7-10/h1-9H,(H3,16,18,19)/b17-13-
InChIKeyDYVZRTWWGDYCJA-LGMDPLHJSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.41
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)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea?
The IUPAC name of [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea (CID 46233012) is [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea is NC(=S)N/N=C(/c1ccccc1)c1ccccc1F.
What is the InChIKey of [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea?
The InChIKey is DYVZRTWWGDYCJA-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-12-9-5-4-8-11(12)13(17-18-14(16)19)10-6-2-1-3-7-10/h1-9H,(H3,16,18,19)/b17-13-.
What are the key properties of [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea?
[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea has a molecular weight of 273.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]thiourea is sourced from PubChem (CID 46233012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).