[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea

C14H11Cl2N3S — CID 44583572

IUPAC[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea
SMILESNC(=S)N/N=C(/c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2N3S/c15-11-6-10(7-12(16)8-11)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)/b18-13-
InChIKeyPRUADTGZDMGCPX-AQTBWJFISA-N
MW324.24 g/mol
LogP3.58
Rot. Bonds3

About [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea

[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea (PubChem CID 44583572) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea
PubChem CID44583572
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea
SMILESNC(=S)N/N=C(/c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2N3S/c15-11-6-10(7-12(16)8-11)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)/b18-13-
InChIKeyPRUADTGZDMGCPX-AQTBWJFISA-N
XLogP3.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.58
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)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea?
The IUPAC name of [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea (CID 44583572) is [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea is NC(=S)N/N=C(/c1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea?
The InChIKey is PRUADTGZDMGCPX-AQTBWJFISA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c15-11-6-10(7-12(16)8-11)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)/b18-13-.
What are the key properties of [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea?
[(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea has a molecular weight of 324.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(3,5-dichlorophenyl)-phenylmethylidene]amino]thiourea is sourced from PubChem (CID 44583572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).