[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide

C16H15Cl2IN4S — CID 18528903

IUPAC[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide
SMILESCS/C(=N/N=C/c1ccc(Cl)cc1)[NH2+]/N=C/c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C16H14Cl2N4S.HI/c1-23-16(21-19-10-12-2-6-14(17)7-3-12)22-20-11-13-4-8-15(18)9-5-13;/h2-11H,1H3,(H,21,22);1H/b19-10+,20-11+;
InChIKeySCRCHDNXUDSPOB-YMMOLGQLSA-N
MW493.20 g/mol
LogP0.65
Rot. Bonds4

About [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide

[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide (PubChem CID 18528903) has the molecular formula C16H15Cl2IN4S and a molecular weight of 493.20 g/mol. Its IUPAC name is [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide.

Molecular Properties

Compound Name[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide
PubChem CID18528903
Molecular FormulaC16H15Cl2IN4S
Molecular Weight493.20 g/mol
Exact Mass491.94
IUPAC Name[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide
SMILESCS/C(=N/N=C/c1ccc(Cl)cc1)[NH2+]/N=C/c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C16H14Cl2N4S.HI/c1-23-16(21-19-10-12-2-6-14(17)7-3-12)22-20-11-13-4-8-15(18)9-5-13;/h2-11H,1H3,(H,21,22);1H/b19-10+,20-11+;
InChIKeySCRCHDNXUDSPOB-YMMOLGQLSA-N
XLogP0.65
TPSA53.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.20
LogP ≤ 50.65
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide?
The IUPAC name of [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide (CID 18528903) is [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide.
What is the SMILES notation for [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide?
The canonical SMILES for [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide is CS/C(=N/N=C/c1ccc(Cl)cc1)[NH2+]/N=C/c1ccc(Cl)cc1.[I-].
What is the InChIKey of [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide?
The InChIKey is SCRCHDNXUDSPOB-YMMOLGQLSA-N. The full InChI is InChI=1S/C16H14Cl2N4S.HI/c1-23-16(21-19-10-12-2-6-14(17)7-3-12)22-20-11-13-4-8-15(18)9-5-13;/h2-11H,1H3,(H,21,22);1H/b19-10+,20-11+;.
What are the key properties of [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide?
[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide has a molecular weight of 493.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide is sourced from PubChem (CID 18528903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).