(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium

C15H13N2O3P2S2+ — CID 59558262

IUPAC(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium
SMILESCN(/N=C/c1ccc(OP=S)cc1)[P+](=S)Oc1ccc(C=O)cc1
InChIInChI=1S/C15H13N2O3P2S2/c1-17(16-10-12-2-6-14(7-3-12)19-21-23)22(24)20-15-8-4-13(11-18)5-9-15/h2-11H,1H3/q+1/b16-10+
InChIKeyBVENSRLBSVHLFV-MHWRWJLKSA-N
MW395.36 g/mol
LogP4.32
Rot. Bonds8

About (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium

(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium (PubChem CID 59558262) has the molecular formula C15H13N2O3P2S2+ and a molecular weight of 395.36 g/mol. Its IUPAC name is (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium.

Molecular Properties

Compound Name(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium
PubChem CID59558262
Molecular FormulaC15H13N2O3P2S2+
Molecular Weight395.36 g/mol
Exact Mass394.98
IUPAC Name(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium
SMILESCN(/N=C/c1ccc(OP=S)cc1)[P+](=S)Oc1ccc(C=O)cc1
InChIInChI=1S/C15H13N2O3P2S2/c1-17(16-10-12-2-6-14(7-3-12)19-21-23)22(24)20-15-8-4-13(11-18)5-9-15/h2-11H,1H3/q+1/b16-10+
InChIKeyBVENSRLBSVHLFV-MHWRWJLKSA-N
XLogP4.32
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium?
The IUPAC name of (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium (CID 59558262) is (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium.
What is the SMILES notation for (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium?
The canonical SMILES for (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium is CN(/N=C/c1ccc(OP=S)cc1)[P+](=S)Oc1ccc(C=O)cc1.
What is the InChIKey of (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium?
The InChIKey is BVENSRLBSVHLFV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N2O3P2S2/c1-17(16-10-12-2-6-14(7-3-12)19-21-23)22(24)20-15-8-4-13(11-18)5-9-15/h2-11H,1H3/q+1/b16-10+.
What are the key properties of (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium?
(4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium has a molecular weight of 395.36 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenoxy)-[methyl-[(E)-(4-thiophosphorosooxyphenyl)methylideneamino]amino]-sulfanylidenephosphanium is sourced from PubChem (CID 59558262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).