manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride

C13H13Cl2MnN3S — CID 10474226

IUPACmanganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
SMILESC/C(=N\NC(N)=S)c1ccc2ccccc2c1.[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C13H13N3S.2ClH.Mn/c1-9(15-16-13(14)17)11-7-6-10-4-2-3-5-12(10)8-11;;;/h2-8H,1H3,(H3,14,16,17);2*1H;/q;;;+2/p-2/b15-9+;;;
InChIKeyWUAMNFGVSCWXFV-SFRYUHGMSA-L
MW369.18 g/mol
LogP-3.60
Rot. Bonds2

About manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride

manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride (PubChem CID 10474226) has the molecular formula C13H13Cl2MnN3S and a molecular weight of 369.18 g/mol. Its IUPAC name is manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride.

Molecular Properties

Compound Namemanganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
PubChem CID10474226
Molecular FormulaC13H13Cl2MnN3S
Molecular Weight369.18 g/mol
Exact Mass367.96
IUPAC Namemanganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
SMILESC/C(=N\NC(N)=S)c1ccc2ccccc2c1.[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C13H13N3S.2ClH.Mn/c1-9(15-16-13(14)17)11-7-6-10-4-2-3-5-12(10)8-11;;;/h2-8H,1H3,(H3,14,16,17);2*1H;/q;;;+2/p-2/b15-9+;;;
InChIKeyWUAMNFGVSCWXFV-SFRYUHGMSA-L
XLogP-3.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 5-3.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
CID 23024423
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606

Frequently Asked Questions

What is the IUPAC name of manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride?
The IUPAC name of manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride (CID 10474226) is manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride.
What is the SMILES notation for manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride?
The canonical SMILES for manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride is C/C(=N\NC(N)=S)c1ccc2ccccc2c1.[Cl-].[Cl-].[Mn+2].
What is the InChIKey of manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride?
The InChIKey is WUAMNFGVSCWXFV-SFRYUHGMSA-L. The full InChI is InChI=1S/C13H13N3S.2ClH.Mn/c1-9(15-16-13(14)17)11-7-6-10-4-2-3-5-12(10)8-11;;;/h2-8H,1H3,(H3,14,16,17);2*1H;/q;;;+2/p-2/b15-9+;;;.
What are the key properties of manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride?
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride has a molecular weight of 369.18 g/mol, XLogP of -3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride is sourced from PubChem (CID 10474226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).