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Home > Aldehydes > 250347-30-9
250347-30-9 | 10H-Phenothiazine-3-carboxaldehyde, 10-hexyl-
CAS No: 250347-30-9 Catalog No: AG002Q8D MDL No:
Product Description
Catalog Number:
AG002Q8D
Chemical Name:
10H-Phenothiazine-3-carboxaldehyde, 10-hexyl-
CAS Number:
250347-30-9
Molecular Formula:
C19H21NOS
Molecular Weight:
311.4411
IUPAC Name:
10-hexylphenothiazine-3-carbaldehyde
InChI:
InChI=1S/C19H21NOS/c1-2-3-4-7-12-20-16-8-5-6-9-18(16)22-19-13-15(14-21)10-11-17(19)20/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChI Key:
KRPIJNSHTPIYCB-UHFFFAOYSA-N
SMILES:
CCCCCCN1c2ccccc2Sc2c1ccc(c2)C=O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.443g/mol
Monoisotopic Mass:
311.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| Phenothiazine cruciforms: synthesis and metallochromic properties. | The Journal of organic chemistry 20070831 |
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