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73986-61-5 | 10-(5-BENZYLIDENE-4-OXO-2-(2-THIAZOLINYL)THIOACETYL)PHENOTHIAZINE
CAS No: 73986-61-5 Catalog No: AG008PKE MDL No:
Product Description
Catalog Number:
AG008PKE
Chemical Name:
10-(5-BENZYLIDENE-4-OXO-2-(2-THIAZOLINYL)THIOACETYL)PHENOTHIAZINE
CAS Number:
73986-61-5
Molecular Formula:
C24H16N2OS3
Molecular Weight:
444.5916
IUPAC Name:
(5Z)-5-benzylidene-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,3-thiazol-4-one
InChI:
InChI=1S/C24H16N2O2S3/c27-22(15-29-24-25-23(28)21(31-24)14-16-8-2-1-3-9-16)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h1-14H,15H2/b21-14-
InChI Key:
HOGDSFKJDMYNNT-STZFKDTASA-N
SMILES:
O=C1N=C(SC1=Cc1ccccc1)CC(=S)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
460.037g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.584g/mol
Monoisotopic Mass:
460.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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