Acetone, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazone

HCID 3038136

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 29023-85-6
Standard SMILES: CC(C)=NN(C)C(=S)Nc1c2ccccc2nc2ccccc12
InChIKey: OTYZLVRFJPWZQK-UHFFFAOYSA-N
Molecular formula: C18H18N4S
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.12521776

Names & identifiers

Preferred name: Acetone, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazone
IUPAC: 3-acridin-9-yl-1-methyl-1-(propan-2-ylideneamino)thiourea

Names & synonyms

29023-85-6Acetone, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazoneDTXSID00183266RefChem:316811DTXCID10105757N-(Acridin-9-yl)-1-methyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide

Database identifiers

CAS: 29023-85-6
PubChem CID: 3038136
DTXSID: DTXSID00183266
Nikkaji: J2.336.504I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 438

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…