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113922-99-9 | 1,4,2-Benzodithiazine, 6-chloro-3-(methylthio)-, 1,1-dioxide
CAS No: 113922-99-9 Catalog No: AG000A3B MDL No:
Product Description
Catalog Number:
AG000A3B
Chemical Name:
1,4,2-Benzodithiazine, 6-chloro-3-(methylthio)-, 1,1-dioxide
CAS Number:
113922-99-9
Molecular Formula:
C8H6ClNO2S3
Molecular Weight:
279.7867
IUPAC Name:
6-chloro-3-methylsulfanyl-1λ6,4,2-benzodithiazine 1,1-dioxide
InChI:
InChI=1S/C8H6ClNO2S3/c1-13-8-10-15(11,12)7-3-2-5(9)4-6(7)14-8/h2-4H,1H3
InChI Key:
QBRVBKMQNJQVGK-UHFFFAOYSA-N
SMILES:
CSC1=NS(=O)(=O)c2c(S1)cc(Cl)cc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.925g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.771g/mol
Monoisotopic Mass:
278.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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