1-phenyl-3-propylthiourea

C10H14N2S — CID 2760408

IUPAC1-phenyl-3-propylthiourea
SMILESCCCNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
InChIKeyHZPCVTKJHKWEDX-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.38
Rot. Bonds3

About 1-phenyl-3-propylthiourea

1-phenyl-3-propylthiourea (PubChem CID 2760408) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-phenyl-3-propylthiourea.

Molecular Properties

Compound Name1-phenyl-3-propylthiourea
PubChem CID2760408
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-phenyl-3-propylthiourea
SMILESCCCNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
InChIKeyHZPCVTKJHKWEDX-UHFFFAOYSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-phenyl-3-propylthiourea?
The IUPAC name of 1-phenyl-3-propylthiourea (CID 2760408) is 1-phenyl-3-propylthiourea.
What is the SMILES notation for 1-phenyl-3-propylthiourea?
The canonical SMILES for 1-phenyl-3-propylthiourea is CCCNC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-propylthiourea?
The InChIKey is HZPCVTKJHKWEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13).
What are the key properties of 1-phenyl-3-propylthiourea?
1-phenyl-3-propylthiourea has a molecular weight of 194.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propylthiourea is sourced from PubChem (CID 2760408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).