2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride

C14H13Cl3NOSTi — CID 175288392

IUPAC2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
SMILESCSc1ccccc1/N=C/c1ccccc1O.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C14H13NOS.3ClH.Ti/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16;;;;/h2-10,16H,1H3;3*1H;/q;;;;+3/p-3/b15-10+;;;;
InChIKeyFSJMNUYVFYROIS-VYYKFXENSA-K
MW397.56 g/mol
LogP-5.13
Rot. Bonds3

About 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride

2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride (PubChem CID 175288392) has the molecular formula C14H13Cl3NOSTi and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride.

Molecular Properties

Compound Name2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
PubChem CID175288392
Molecular FormulaC14H13Cl3NOSTi
Molecular Weight397.56 g/mol
Exact Mass395.93
IUPAC Name2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
SMILESCSc1ccccc1/N=C/c1ccccc1O.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C14H13NOS.3ClH.Ti/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16;;;;/h2-10,16H,1H3;3*1H;/q;;;;+3/p-3/b15-10+;;;;
InChIKeyFSJMNUYVFYROIS-VYYKFXENSA-K
XLogP-5.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 5-5.13
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

4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136797753
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-bromo-4-tert-butyl-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 137247228
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride?
The IUPAC name of 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride (CID 175288392) is 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride.
What is the SMILES notation for 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride?
The canonical SMILES for 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride is CSc1ccccc1/N=C/c1ccccc1O.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride?
The InChIKey is FSJMNUYVFYROIS-VYYKFXENSA-K. The full InChI is InChI=1S/C14H13NOS.3ClH.Ti/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16;;;;/h2-10,16H,1H3;3*1H;/q;;;;+3/p-3/b15-10+;;;;.
What are the key properties of 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride?
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride has a molecular weight of 397.56 g/mol, XLogP of -5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride is sourced from PubChem (CID 175288392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).