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261-89-2 | Phenothiazin-5-ium
CAS No: 261-89-2 Catalog No: AG002ROM MDL No:
Product Description
Catalog Number:
AG002ROM
Chemical Name:
Phenothiazin-5-ium
CAS Number:
261-89-2
Molecular Formula:
C12H8NS+
Molecular Weight:
198.2636
IUPAC Name:
phenothiazin-5-ium
InChI:
InChI=1S/C12H8NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H/q+1
InChI Key:
LTOOVISGEYEBFR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[s+]c1c(n2)cccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.038g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.263g/mol
Monoisotopic Mass:
198.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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