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82946-25-6 | 1,4,2-Benzodithiazine, 6-methyl-
CAS No: 82946-25-6 Catalog No: AG004YZ8 MDL No:
Product Description
Catalog Number:
AG004YZ8
Chemical Name:
1,4,2-Benzodithiazine, 6-methyl-
CAS Number:
82946-25-6
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
IUPAC Name:
6-methyl-1,4,2-benzodithiazine
InChI:
InChI=1S/C8H7NS2/c1-6-2-3-7-8(4-6)10-5-9-11-7/h2-5H,1H3
InChI Key:
VOWUUEDCJKKOGK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)SC=NS2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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