N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)

C46H40Br2N6P2Pd2S2 — CID 71500252

IUPACN'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)
SMILESBr[Pd+].Br[Pd+].N/C([S-])=N/N=C\c1ccc(/C=N\N=C(\N)[S-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H12N6S2.2BrH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18;;;;/h2*1-15H;1-6H,(H3,11,15,17)(H3,12,16,18);2*1H;;/q;;;;;2*+2/p-4/b;;13-5-,14-6-;;;;
InChIKeySVLVZOODSCDGCX-JNNMQVKDSA-J
MW1175.60 g/mol
LogP8.65
Rot. Bonds10

About N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)

N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane) (PubChem CID 71500252) has the molecular formula C46H40Br2N6P2Pd2S2 and a molecular weight of 1175.60 g/mol. Its IUPAC name is N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane).

Molecular Properties

Compound NameN'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)
PubChem CID71500252
Molecular FormulaC46H40Br2N6P2Pd2S2
Molecular Weight1175.60 g/mol
Exact Mass1171.87
IUPAC NameN'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)
SMILESBr[Pd+].Br[Pd+].N/C([S-])=N/N=C\c1ccc(/C=N\N=C(\N)[S-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H12N6S2.2BrH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18;;;;/h2*1-15H;1-6H,(H3,11,15,17)(H3,12,16,18);2*1H;;/q;;;;;2*+2/p-4/b;;13-5-,14-6-;;;;
InChIKeySVLVZOODSCDGCX-JNNMQVKDSA-J
XLogP8.65
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.60
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-benzylideneamino]guanidine;hydrobromide
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2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
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thiourea;triphenylphosphane
CID 21285879
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
triphenylphosphane
CID 139056248
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
[4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane
CID 102073686
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
benzyl N'-[(4-cyanophenyl)methylideneamino]carbamimidothioate
CID 168600585
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)?
The IUPAC name of N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane) (CID 71500252) is N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane).
What is the SMILES notation for N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)?
The canonical SMILES for N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane) is Br[Pd+].Br[Pd+].N/C([S-])=N/N=C\c1ccc(/C=N\N=C(\N)[S-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)?
The InChIKey is SVLVZOODSCDGCX-JNNMQVKDSA-J. The full InChI is InChI=1S/2C18H15P.C10H12N6S2.2BrH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18;;;;/h2*1-15H;1-6H,(H3,11,15,17)(H3,12,16,18);2*1H;;/q;;;;;2*+2/p-4/b;;13-5-,14-6-;;;;.
What are the key properties of N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane)?
N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane) has a molecular weight of 1175.60 g/mol, XLogP of 8.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[(Z)-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]carbamimidothioate;bis(bromopalladium(1+));bis(triphenylphosphane) is sourced from PubChem (CID 71500252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).