(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine

C22H22NPS — CID 135072310

IUPAC(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NPS/c1-19(17-18-20-11-5-2-6-12-20)23-24(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+
InChIKeyCTKIAVFAPVESGP-FCDQGJHFSA-N
MW363.47 g/mol
LogP5.13
Rot. Bonds6

About (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine

(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine (PubChem CID 135072310) has the molecular formula C22H22NPS and a molecular weight of 363.47 g/mol. Its IUPAC name is (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
PubChem CID135072310
Molecular FormulaC22H22NPS
Molecular Weight363.47 g/mol
Exact Mass363.12
IUPAC Name(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NPS/c1-19(17-18-20-11-5-2-6-12-20)23-24(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+
InChIKeyCTKIAVFAPVESGP-FCDQGJHFSA-N
XLogP5.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
CID 135073200
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
(E)-N-(azepan-1-yl)-4-phenylbutan-2-imine
CID 15442581
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
CID 88674892
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
CID 159996667
4-methylidene-6-phenylhexan-3-one
CID 13485260

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine?
The IUPAC name of (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine (CID 135072310) is (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine.
What is the SMILES notation for (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine?
The canonical SMILES for (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine is C/C(CCc1ccccc1)=N\P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine?
The InChIKey is CTKIAVFAPVESGP-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H22NPS/c1-19(17-18-20-11-5-2-6-12-20)23-24(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+.
What are the key properties of (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine?
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine has a molecular weight of 363.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine is sourced from PubChem (CID 135072310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).