1,3-bis(2-phenylethyl)thiourea

C17H20N2S — CID 799650

IUPAC1,3-bis(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H20N2S/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)
InChIKeyHVCLISLMGLZZDM-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.94
Rot. Bonds6

About 1,3-bis(2-phenylethyl)thiourea

1,3-bis(2-phenylethyl)thiourea (PubChem CID 799650) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-bis(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2-phenylethyl)thiourea
PubChem CID799650
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-bis(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H20N2S/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)
InChIKeyHVCLISLMGLZZDM-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.94
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 1,3-bis(2-phenylethyl)thiourea?
The IUPAC name of 1,3-bis(2-phenylethyl)thiourea (CID 799650) is 1,3-bis(2-phenylethyl)thiourea.
What is the SMILES notation for 1,3-bis(2-phenylethyl)thiourea?
The canonical SMILES for 1,3-bis(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 1,3-bis(2-phenylethyl)thiourea?
The InChIKey is HVCLISLMGLZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20).
What are the key properties of 1,3-bis(2-phenylethyl)thiourea?
1,3-bis(2-phenylethyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylethyl)thiourea is sourced from PubChem (CID 799650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).