2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one

C11H9Cl2N3OS — CID 172936321

IUPAC2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
SMILESO=C1CCSC(=N/N=C/c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+
InChIKeyXJGNAVKCPAPPGC-MKMNVTDBSA-N
MW302.19 g/mol
LogP2.94
Rot. Bonds2

About 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one

2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one (PubChem CID 172936321) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
PubChem CID172936321
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
SMILESO=C1CCSC(=N/N=C/c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+
InChIKeyXJGNAVKCPAPPGC-MKMNVTDBSA-N
XLogP2.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The IUPAC name of 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one (CID 172936321) is 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one.
What is the SMILES notation for 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The canonical SMILES for 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one is O=C1CCSC(=N/N=C/c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The InChIKey is XJGNAVKCPAPPGC-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+.
What are the key properties of 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one has a molecular weight of 302.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one is sourced from PubChem (CID 172936321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).