[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea

C20H18N3PS — CID 139153556

IUPAC[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N3PS/c21-20(25)23-22-15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H,(H3,21,23,25)/b22-15+
InChIKeyHNOIHSKKZIDHPB-PXLXIMEGSA-N
MW363.43 g/mol
LogP2.61
Rot. Bonds5

About [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea

[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea (PubChem CID 139153556) has the molecular formula C20H18N3PS and a molecular weight of 363.43 g/mol. Its IUPAC name is [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea
PubChem CID139153556
Molecular FormulaC20H18N3PS
Molecular Weight363.43 g/mol
Exact Mass363.10
IUPAC Name[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N3PS/c21-20(25)23-22-15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H,(H3,21,23,25)/b22-15+
InChIKeyHNOIHSKKZIDHPB-PXLXIMEGSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde Thiosemicarbazone
CID 5711036
[(Z)-benzylideneamino]thiourea
CID 5374647
{[(4-Phenylphenyl)methylidene]amino}thiourea
CID 9556520
[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]thiourea
CID 145954836
[(E)-[4-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]thiourea
CID 134152040
[(E)-(3-phenylphenyl)methylideneamino]thiourea
CID 145969148
[(E)-[(2Z)-2-benzylideneheptylidene]amino]thiourea
CID 9574732
2-(Phenylmethylene)hydrazinecarbothioamide
CID 691951
1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
CID 117688522
1,3-bis[(E)-(4-fluorophenyl)methylideneamino]thiourea
CID 9580401
benzene; [(E)-benzylideneamino]thiourea; chlororuthenium(1+)
CID 86574574
N'',N'''-bis[(E)-phenylmethylidene]thiocarbonohydrazide
CID 9615401

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea (CID 139153556) is [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea is NC(=S)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea?
The InChIKey is HNOIHSKKZIDHPB-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H18N3PS/c21-20(25)23-22-15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H,(H3,21,23,25)/b22-15+.
What are the key properties of [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea?
[(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea has a molecular weight of 363.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-diphenylphosphanylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 139153556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).