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872544-70-2 | Phenothiazin-5-ium, 3,7-bis(dimethylamino)-4-iodo-, iodide
CAS No: 872544-70-2 Catalog No: AG004MKN MDL No:
Product Description
Catalog Number:
AG004MKN
Chemical Name:
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-4-iodo-, iodide
CAS Number:
872544-70-2
Molecular Formula:
C16H17I2N3S
Molecular Weight:
537.2002
IUPAC Name:
[7-(dimethylamino)-4-iodophenothiazin-3-ylidene]-dimethylazanium;iodide
InChI:
InChI=1S/C16H17IN3S.HI/c1-19(2)10-5-6-11-14(9-10)21-16-12(18-11)7-8-13(15(16)17)20(3)4;/h5-9H,1-4H3;1H/q+1;/p-1
InChI Key:
PGOVCBDQBBFQTC-UHFFFAOYSA-M
SMILES:
CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1I)N(C)C)C.[I-]
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.923g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.202g/mol
Monoisotopic Mass:
536.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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