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851330-18-2 | 2H-3,1-Benzothiazine-2,4(1H)-dithione, 7-amino-
CAS No: 851330-18-2 Catalog No: AG004XBP MDL No:
Product Description
Catalog Number:
AG004XBP
Chemical Name:
2H-3,1-Benzothiazine-2,4(1H)-dithione, 7-amino-
CAS Number:
851330-18-2
Molecular Formula:
C8H6N2S3
Molecular Weight:
226.3416
IUPAC Name:
7-amino-1H-3,1-benzothiazine-2,4-dithione
InChI:
InChI=1S/C8H6N2S3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,9H2,(H,10,12)
InChI Key:
JNDMTKGKDICUEH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[nH]c(=S)sc2=S
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.33g/mol
Monoisotopic Mass:
225.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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