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19921-19-8 | 4H-3,1-Benzothiazine-4-thione, 6,8-dichloro-2-phenyl-
CAS No: 19921-19-8 Catalog No: AG002BZH MDL No:
Product Description
Catalog Number:
AG002BZH
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 6,8-dichloro-2-phenyl-
CAS Number:
19921-19-8
Molecular Formula:
C14H7Cl2NS2
Molecular Weight:
324.2481
IUPAC Name:
6,8-dichloro-2-phenyl-3,1-benzothiazine-4-thione
InChI:
InChI=1S/C14H7Cl2NS2/c15-9-6-10-12(11(16)7-9)17-13(19-14(10)18)8-4-2-1-3-5-8/h1-7H
InChI Key:
FPPCXQVQLJYNAS-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(=S)sc(n2)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.94g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.237g/mol
Monoisotopic Mass:
322.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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