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144097-10-9 | 10H-Phenothiazinium, amino-10-(amino-3H-phenothiazin-3-ylidene)- (9CI)
CAS No: 144097-10-9 Catalog No: AG001IX3 MDL No:
Product Description
Catalog Number:
AG001IX3
Chemical Name:
10H-Phenothiazinium, amino-10-(amino-3H-phenothiazin-3-ylidene)- (9CI)
CAS Number:
144097-10-9
Molecular Formula:
C24H17N4S2+
Molecular Weight:
425.5486
IUPAC Name:
3-(1-aminophenothiazin-10-ium-10-ylidene)phenothiazin-1-amine
InChI:
InChI=1S/C24H16N4S2/c25-15-6-5-11-21-24(15)28(18-8-2-4-10-20(18)30-21)14-12-16(26)23-22(13-14)29-19-9-3-1-7-17(19)27-23/h1-13,26H,25H2/p+1
InChI Key:
DQVFOFDEMULXDK-UHFFFAOYSA-O
SMILES:
Nc1cc(=[N+]2c3ccccc3Sc3c2c(N)ccc3)cc2c1nc1ccccc1s2
Properties
Complexity:
844
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.089g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.548g/mol
Monoisotopic Mass:
425.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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