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131357-73-8 | 4H-3,1-Benzothiazin-4-one, 2-amino-
CAS No: 131357-73-8 Catalog No: AG000VZY MDL No:MFCD03103707
Product Description
Catalog Number:
AG000VZY
Chemical Name:
4H-3,1-Benzothiazin-4-one, 2-amino-
CAS Number:
131357-73-8
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD03103707
IUPAC Name:
2-amino-3,1-benzothiazin-4-one
InChI:
InChI=1S/C8H6N2OS/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
InChI Key:
GREDHPLKDSOPMQ-UHFFFAOYSA-N
SMILES:
Nc1nc2ccccc2c(=O)s1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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