2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride

C14H12ClNOPdS — CID 50923657

IUPAC2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride
SMILESCOc1ccc(/[C-]=N/c2ccccc2[S-])cc1.Cl.[Pd+2]
InChIInChI=1S/C14H12NOS.ClH.Pd/c1-16-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)17;;/h2-9,17H,1H3;1H;/q-1;;+2/p-1
InChIKeyPWRBODFUTQNAEO-UHFFFAOYSA-M
MW384.20 g/mol
LogP3.65
Rot. Bonds3

About 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride

2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride (PubChem CID 50923657) has the molecular formula C14H12ClNOPdS and a molecular weight of 384.20 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride
PubChem CID50923657
Molecular FormulaC14H12ClNOPdS
Molecular Weight384.20 g/mol
Exact Mass382.94
IUPAC Name2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride
SMILESCOc1ccc(/[C-]=N/c2ccccc2[S-])cc1.Cl.[Pd+2]
InChIInChI=1S/C14H12NOS.ClH.Pd/c1-16-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)17;;/h2-9,17H,1H3;1H;/q-1;;+2/p-1
InChIKeyPWRBODFUTQNAEO-UHFFFAOYSA-M
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
anisole;hydrochloride
CID 158800007
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
acetylene;anisole
CID 86033716
N-(4-methoxyphenyl)-2-nitrosoaniline
CID 154665125
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
benzene-1,2-diol;4-methoxyphenol
CID 70292826
CID 102206658
CID 102206658
1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71317432

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride (CID 50923657) is 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride is COc1ccc(/[C-]=N/c2ccccc2[S-])cc1.Cl.[Pd+2].
What is the InChIKey of 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride?
The InChIKey is PWRBODFUTQNAEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12NOS.ClH.Pd/c1-16-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)17;;/h2-9,17H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride?
2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride has a molecular weight of 384.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylideneamino]benzenethiolate;palladium(2+);hydrochloride is sourced from PubChem (CID 50923657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).