1-phenyl-3-(3-phenylpropyl)thiourea

C16H18N2S — CID 3549496

IUPAC1-phenyl-3-(3-phenylpropyl)thiourea
SMILESS=C(NCCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N2S/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,17,18,19)
InChIKeyKSAVTPCYXUELBT-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.61
Rot. Bonds5

About 1-phenyl-3-(3-phenylpropyl)thiourea

1-phenyl-3-(3-phenylpropyl)thiourea (PubChem CID 3549496) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylpropyl)thiourea
PubChem CID3549496
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-phenyl-3-(3-phenylpropyl)thiourea
SMILESS=C(NCCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N2S/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,17,18,19)
InChIKeyKSAVTPCYXUELBT-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylpropyl)thiourea?
The IUPAC name of 1-phenyl-3-(3-phenylpropyl)thiourea (CID 3549496) is 1-phenyl-3-(3-phenylpropyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(3-phenylpropyl)thiourea?
The canonical SMILES for 1-phenyl-3-(3-phenylpropyl)thiourea is S=C(NCCCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylpropyl)thiourea?
The InChIKey is KSAVTPCYXUELBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,17,18,19).
What are the key properties of 1-phenyl-3-(3-phenylpropyl)thiourea?
1-phenyl-3-(3-phenylpropyl)thiourea has a molecular weight of 270.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylpropyl)thiourea is sourced from PubChem (CID 3549496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).