10-Ethylphenothiazine-3-carbaldehyde

HCID 314330

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18413-61-1
Standard SMILES: CCN1c2ccccc2Sc2cc(C=O)ccc21
InChIKey: COLOSBBTKSNIMJ-UHFFFAOYSA-N
Molecular formula: C15H13NOS
Average molar mass: 255.3 g/mol
Monoisotopic mass: 255.07178504

Names & identifiers

Preferred name: 10-Ethylphenothiazine-3-carbaldehyde
IUPAC: 10-ethylphenothiazine-3-carbaldehyde

Names & synonyms

10-ethylphenothiazine-3-carbaldehyde18413-61-110-ethyl-10H-phenothiazine-3-carbaldehydeNSC231652Oprea1_806205SCHEMBL463256710-Ethyl-3-formylphenothiazineSCHEMBL31481617DTXSID20310774COLOSBBTKSNIMJ-UHFFFAOYSA-NAKOS030694994NSC-231652

Show more names

EN300-18210799Z56756366

Database identifiers

CAS: 18413-61-1
PubChem CID: 314330
DTXSID: DTXSID20310774
Nikkaji: J2.044.680C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 45.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 309

Related reactions

11 records

New reaction record

HRID 6578As productuspto-grants-2006_08

HRID 6579As reactantuspto-grants-2006_08

HRID 145367As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 268577As productuspto-grants-2008_11

HRID 268578As reactantuspto-grants-2008_11

HRID 355417As productuspto-grants-1998_11

HRID 1375308As productuspto-grants-2007_01

HRID 1375309As reactantuspto-grants-2007_01

Compound notes

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