1-phenyl-3-propan-2-ylthiourea

C10H14N2S — CID 2759508

IUPAC1-phenyl-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2S/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKeyLFBMRUOVWMEFFZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.38
Rot. Bonds2

About 1-phenyl-3-propan-2-ylthiourea

1-phenyl-3-propan-2-ylthiourea (PubChem CID 2759508) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-phenyl-3-propan-2-ylthiourea
PubChem CID2759508
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-phenyl-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2S/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKeyLFBMRUOVWMEFFZ-UHFFFAOYSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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-propan-2-ylthiourea?
The IUPAC name of 1-phenyl-3-propan-2-ylthiourea (CID 2759508) is 1-phenyl-3-propan-2-ylthiourea.
What is the SMILES notation for 1-phenyl-3-propan-2-ylthiourea?
The canonical SMILES for 1-phenyl-3-propan-2-ylthiourea is CC(C)NC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-propan-2-ylthiourea?
The InChIKey is LFBMRUOVWMEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13).
What are the key properties of 1-phenyl-3-propan-2-ylthiourea?
1-phenyl-3-propan-2-ylthiourea has a molecular weight of 194.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-ylthiourea is sourced from PubChem (CID 2759508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).