[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc

C14H14Br2N4SZn — CID 135502860

IUPAC[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
SMILESBr[Zn]Br.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H14N4S.2BrH.Zn/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12;;;/h2-10H,1H3,(H2,15,16,18,19);2*1H;/q;;;+2/p-2
InChIKeyHBYGMVCNSNFJMT-UHFFFAOYSA-L
MW495.56 g/mol
LogP4.35
Rot. Bonds3

About [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc

[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc (PubChem CID 135502860) has the molecular formula C14H14Br2N4SZn and a molecular weight of 495.56 g/mol. Its IUPAC name is [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc.

Molecular Properties

Compound Name[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
PubChem CID135502860
Molecular FormulaC14H14Br2N4SZn
Molecular Weight495.56 g/mol
Exact Mass491.86
IUPAC Name[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
SMILESBr[Zn]Br.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H14N4S.2BrH.Zn/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12;;;/h2-10H,1H3,(H2,15,16,18,19);2*1H;/q;;;+2/p-2
InChIKeyHBYGMVCNSNFJMT-UHFFFAOYSA-L
XLogP4.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide
CID 135496473
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate
CID 23350968
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide
CID 11626280
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601

Frequently Asked Questions

What is the IUPAC name of [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc?
The IUPAC name of [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc (CID 135502860) is [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc.
What is the SMILES notation for [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc?
The canonical SMILES for [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc is Br[Zn]Br.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)Nc1ccccc1.
What is the InChIKey of [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc?
The InChIKey is HBYGMVCNSNFJMT-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14N4S.2BrH.Zn/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12;;;/h2-10H,1H3,(H2,15,16,18,19);2*1H;/q;;;+2/p-2.
What are the key properties of [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc?
[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc has a molecular weight of 495.56 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc is sourced from PubChem (CID 135502860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).