1-(3,4-dicyanophenyl)-3-phenylthiourea

C15H10N4S — CID 107788676

IUPAC1-(3,4-dicyanophenyl)-3-phenylthiourea
SMILESN#Cc1ccc(NC(=S)Nc2ccccc2)cc1C#N
InChIInChI=1S/C15H10N4S/c16-9-11-6-7-14(8-12(11)10-17)19-15(20)18-13-4-2-1-3-5-13/h1-8H,(H2,18,19,20)
InChIKeyXGQHONBIHGENNC-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.24
Rot. Bonds2

About 1-(3,4-dicyanophenyl)-3-phenylthiourea

1-(3,4-dicyanophenyl)-3-phenylthiourea (PubChem CID 107788676) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(3,4-dicyanophenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(3,4-dicyanophenyl)-3-phenylthiourea
PubChem CID107788676
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name1-(3,4-dicyanophenyl)-3-phenylthiourea
SMILESN#Cc1ccc(NC(=S)Nc2ccccc2)cc1C#N
InChIInChI=1S/C15H10N4S/c16-9-11-6-7-14(8-12(11)10-17)19-15(20)18-13-4-2-1-3-5-13/h1-8H,(H2,18,19,20)
InChIKeyXGQHONBIHGENNC-UHFFFAOYSA-N
XLogP3.24
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dicyanophenyl)-3-phenylthiourea?
The IUPAC name of 1-(3,4-dicyanophenyl)-3-phenylthiourea (CID 107788676) is 1-(3,4-dicyanophenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(3,4-dicyanophenyl)-3-phenylthiourea?
The canonical SMILES for 1-(3,4-dicyanophenyl)-3-phenylthiourea is N#Cc1ccc(NC(=S)Nc2ccccc2)cc1C#N.
What is the InChIKey of 1-(3,4-dicyanophenyl)-3-phenylthiourea?
The InChIKey is XGQHONBIHGENNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c16-9-11-6-7-14(8-12(11)10-17)19-15(20)18-13-4-2-1-3-5-13/h1-8H,(H2,18,19,20).
What are the key properties of 1-(3,4-dicyanophenyl)-3-phenylthiourea?
1-(3,4-dicyanophenyl)-3-phenylthiourea has a molecular weight of 278.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dicyanophenyl)-3-phenylthiourea is sourced from PubChem (CID 107788676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).