2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum

C19H15Cl3NOSTa — CID 135997447

IUPAC2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum
SMILESCl[Ta](Cl)Cl.Oc1c(/C=N/c2ccccc2)cccc1Sc1ccccc1
InChIInChI=1S/C19H15NOS.3ClH.Ta/c21-19-15(14-20-16-9-3-1-4-10-16)8-7-13-18(19)22-17-11-5-2-6-12-17;;;;/h1-14,21H;3*1H;/q;;;;+3/p-3/b20-14+;;;;
InChIKeyBACOCTXBLWWCGY-JKPNHNRMSA-K
MW592.71 g/mol
LogP7.36
Rot. Bonds4

About 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum

2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum (PubChem CID 135997447) has the molecular formula C19H15Cl3NOSTa and a molecular weight of 592.71 g/mol. Its IUPAC name is 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum.

Molecular Properties

Compound Name2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum
PubChem CID135997447
Molecular FormulaC19H15Cl3NOSTa
Molecular Weight592.71 g/mol
Exact Mass590.94
IUPAC Name2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum
SMILESCl[Ta](Cl)Cl.Oc1c(/C=N/c2ccccc2)cccc1Sc1ccccc1
InChIInChI=1S/C19H15NOS.3ClH.Ta/c21-19-15(14-20-16-9-3-1-4-10-16)8-7-13-18(19)22-17-11-5-2-6-12-17;;;;/h1-14,21H;3*1H;/q;;;;+3/p-3/b20-14+;;;;
InChIKeyBACOCTXBLWWCGY-JKPNHNRMSA-K
XLogP7.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol
CID 136617930
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677

Frequently Asked Questions

What is the IUPAC name of 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum?
The IUPAC name of 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum (CID 135997447) is 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum.
What is the SMILES notation for 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum?
The canonical SMILES for 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum is Cl[Ta](Cl)Cl.Oc1c(/C=N/c2ccccc2)cccc1Sc1ccccc1.
What is the InChIKey of 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum?
The InChIKey is BACOCTXBLWWCGY-JKPNHNRMSA-K. The full InChI is InChI=1S/C19H15NOS.3ClH.Ta/c21-19-15(14-20-16-9-3-1-4-10-16)8-7-13-18(19)22-17-11-5-2-6-12-17;;;;/h1-14,21H;3*1H;/q;;;;+3/p-3/b20-14+;;;;.
What are the key properties of 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum?
2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum has a molecular weight of 592.71 g/mol, XLogP of 7.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum is sourced from PubChem (CID 135997447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).