1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea

C14H16N2S2 — CID 3994336

IUPAC1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)NC(=S)Nc1ccccc1
InChIInChI=1S/C14H16N2S2/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17)
InChIKeyCYBCSVDRVUWPDN-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.67
Rot. Bonds4

About 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea

1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 3994336) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID3994336
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)NC(=S)Nc1ccccc1
InChIInChI=1S/C14H16N2S2/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17)
InChIKeyCYBCSVDRVUWPDN-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 3994336) is 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea is CC(Cc1cccs1)NC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is CYBCSVDRVUWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 276.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 3994336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).