gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)

C16H20GaN8S2+3 — CID 3746529

IUPACgallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
SMILES[Ga+3].[H]/[S+]=C(/N)[N-]N=C(C)c1ccccn1.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccn1
InChIInChI=1S/2C8H10N4S.Ga/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;/h2*2-5H,1H3,(H3,9,10,12,13);/q;;+3
InChIKeyVSKIYCRODCWHEV-UHFFFAOYSA-N
MW458.25 g/mol
LogP0.63
Rot. Bonds4

About gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)

gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide) (PubChem CID 3746529) has the molecular formula C16H20GaN8S2+3 and a molecular weight of 458.25 g/mol. Its IUPAC name is gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide).

Molecular Properties

Compound Namegallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
PubChem CID3746529
Molecular FormulaC16H20GaN8S2+3
Molecular Weight458.25 g/mol
Exact Mass457.05
IUPAC Namegallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
SMILES[Ga+3].[H]/[S+]=C(/N)[N-]N=C(C)c1ccccn1.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccn1
InChIInChI=1S/2C8H10N4S.Ga/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;/h2*2-5H,1H3,(H3,9,10,12,13);/q;;+3
InChIKeyVSKIYCRODCWHEV-UHFFFAOYSA-N
XLogP0.63
TPSA130.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
CID 135502860
[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
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
CID 152756166
CID 152756166
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891

Frequently Asked Questions

What is the IUPAC name of gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)?
The IUPAC name of gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide) (CID 3746529) is gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide).
What is the SMILES notation for gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)?
The canonical SMILES for gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide) is [Ga+3].[H]/[S+]=C(/N)[N-]N=C(C)c1ccccn1.[H]/[S+]=C(\N)[N-]N=C(C)c1ccccn1.
What is the InChIKey of gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)?
The InChIKey is VSKIYCRODCWHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N4S.Ga/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;/h2*2-5H,1H3,(H3,9,10,12,13);/q;;+3.
What are the key properties of gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)?
gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide) has a molecular weight of 458.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide) is sourced from PubChem (CID 3746529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).