1-(2-diphenylphosphanylethyl)-3-phenylthiourea

C21H21N2PS — CID 10855156

IUPAC1-(2-diphenylphosphanylethyl)-3-phenylthiourea
SMILESS=C(NCCP(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H21N2PS/c25-21(23-18-10-4-1-5-11-18)22-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,22,23,25)
InChIKeyDDTMVCYISCKHLG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.11
Rot. Bonds6

About 1-(2-diphenylphosphanylethyl)-3-phenylthiourea

1-(2-diphenylphosphanylethyl)-3-phenylthiourea (PubChem CID 10855156) has the molecular formula C21H21N2PS and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-diphenylphosphanylethyl)-3-phenylthiourea
PubChem CID10855156
Molecular FormulaC21H21N2PS
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name1-(2-diphenylphosphanylethyl)-3-phenylthiourea
SMILESS=C(NCCP(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H21N2PS/c25-21(23-18-10-4-1-5-11-18)22-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,22,23,25)
InChIKeyDDTMVCYISCKHLG-UHFFFAOYSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
dimethyl-[2-(phenylcarbamothioylamino)ethyl]azanium
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1-(2-methylsulfonylethyl)-3-phenylthiourea
CID 48839854
1-(2-ethylsulfonylethyl)-3-phenylthiourea
CID 113230875
2-(phenylcarbamothioylamino)acetic acid
CID 3000722
1-[2-(1-adamantyl)ethyl]-3-phenylthiourea
CID 21235373
2-hydroxy-4-(phenylcarbamothioylamino)but-1-ene-1-diazonium
CID 3509777
2-[(4-anilinophenyl)carbamothioylamino]ethyl-dimethylazanium
CID 8615902
1-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylthiourea
CID 3561930
N-phenyl-3-[2-(phenylcarbamothioylamino)ethyl]indole-1-carbothioamide
CID 27161256
1-(2-aminoethyl)-3-phenylthiourea;2,2,2-trifluoroacetic acid
CID 172846453
1-(2-phenylethyl)-3-pyridin-4-ylthiourea
CID 19655618

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylethyl)-3-phenylthiourea?
The IUPAC name of 1-(2-diphenylphosphanylethyl)-3-phenylthiourea (CID 10855156) is 1-(2-diphenylphosphanylethyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-diphenylphosphanylethyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-diphenylphosphanylethyl)-3-phenylthiourea is S=C(NCCP(c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylethyl)-3-phenylthiourea?
The InChIKey is DDTMVCYISCKHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2PS/c25-21(23-18-10-4-1-5-11-18)22-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,22,23,25).
What are the key properties of 1-(2-diphenylphosphanylethyl)-3-phenylthiourea?
1-(2-diphenylphosphanylethyl)-3-phenylthiourea has a molecular weight of 364.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylethyl)-3-phenylthiourea is sourced from PubChem (CID 10855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).