(5E)-5-[(10-methylphenothiazin-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
6329-21-1- Standard SMILES
C=CCN1C(=O)/C(=C\c2ccc3c(c2)Sc2ccccc2N3C)SC1=S- InChIKey
CQMHQLILRIBXMG-LDADJPATSA-N- Molecular formula
- C20H16N2OS3
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.04247666
Names & identifiers
- Preferred name
- (5E)-5-[(10-methylphenothiazin-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- (5E)-5-[(10-methylphenothiazin-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
NSC434036329-21-1NSC-43403
Database identifiers
- CAS
6329-21-1- PubChem CID
- 6508397
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 635
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Compound notes
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