[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium

C16H13Cl4N4S+ — CID 4622264

IUPAC[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium
SMILESCSC(=NN=Cc1ccc(Cl)cc1Cl)[NH2+]N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl4N4S/c1-25-16(23-21-8-10-2-4-12(17)6-14(10)19)24-22-9-11-3-5-13(18)7-15(11)20/h2-9H,1H3,(H,23,24)/p+1
InChIKeyRESWFBPFCVRLLK-UHFFFAOYSA-O
MW435.19 g/mol
LogP4.95
Rot. Bonds4

About [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium

[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium (PubChem CID 4622264) has the molecular formula C16H13Cl4N4S+ and a molecular weight of 435.19 g/mol. Its IUPAC name is [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium.

Molecular Properties

Compound Name[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium
PubChem CID4622264
Molecular FormulaC16H13Cl4N4S+
Molecular Weight435.19 g/mol
Exact Mass432.96
IUPAC Name[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium
SMILESCSC(=NN=Cc1ccc(Cl)cc1Cl)[NH2+]N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl4N4S/c1-25-16(23-21-8-10-2-4-12(17)6-14(10)19)24-22-9-11-3-5-13(18)7-15(11)20/h2-9H,1H3,(H,23,24)/p+1
InChIKeyRESWFBPFCVRLLK-UHFFFAOYSA-O
XLogP4.95
TPSA53.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Robenidine
CID 9570438
Robenidine Hydrochloride
CID 16212175
2-(2,4-Dichlorobenzylidene)hydrazinecarboximidamide
CID 9556823
Cytostat
CID 33196
1,3-Bis[(2,4-dichlorophenyl)methylideneamino]urea
CID 6861508
2-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 71718947
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine
CID 38988396
1,3-Bis[(E)-(4-chlorophenyl)methylideneamino]thiourea
CID 9568016
2-[(2,4-Dichlorophenyl)methylideneamino]guanidine
CID 248400
1,2-bis[(E)-(2-chlorophenyl)methylideneamino]guanidine
CID 127034049
Bis[(4-chlorophenyl)methylene]-carbonimidic Dihydrazide
CID 51854790
Robenidine-d8 hydrochloride
CID 71312426

Frequently Asked Questions

What is the IUPAC name of [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium?
The IUPAC name of [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium (CID 4622264) is [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium.
What is the SMILES notation for [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium?
The canonical SMILES for [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium is CSC(=NN=Cc1ccc(Cl)cc1Cl)[NH2+]N=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium?
The InChIKey is RESWFBPFCVRLLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12Cl4N4S/c1-25-16(23-21-8-10-2-4-12(17)6-14(10)19)24-22-9-11-3-5-13(18)7-15(11)20/h2-9H,1H3,(H,23,24)/p+1.
What are the key properties of [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium?
[(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium has a molecular weight of 435.19 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichlorophenyl)methylideneamino]-[N-[(2,4-dichlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium is sourced from PubChem (CID 4622264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).