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72222-91-4 | 2H-1,4-Benzothiazin-3(4H)-one, hydrazone
CAS No: 72222-91-4 Catalog No: AG00692H MDL No:
Product Description
Catalog Number:
AG00692H
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, hydrazone
CAS Number:
72222-91-4
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
IUPAC Name:
2H-1,4-benzothiazin-3-ylhydrazine
InChI:
InChI=1S/C8H9N3S/c9-11-8-5-12-7-4-2-1-3-6(7)10-8/h1-4H,5,9H2,(H,10,11)
InChI Key:
GZHNUPIHHITANW-UHFFFAOYSA-N
SMILES:
NN=C1CSc2c(N1)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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