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18504-86-4 | 2H,3H,4H-pyrido[4,3-b][1,4]thiazin-3-one
CAS No: 18504-86-4 Catalog No: AG019YPB MDL No:MFCD22196484
Product Description
Catalog Number:
AG019YPB
Chemical Name:
2H,3H,4H-pyrido[4,3-b][1,4]thiazin-3-one
CAS Number:
18504-86-4
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD22196484
IUPAC Name:
4H-pyrido[4,3-b][1,4]thiazin-3-one
InChI:
InChI=1S/C7H6N2OS/c10-7-4-11-6-1-2-8-3-5(6)9-7/h1-3H,4H2,(H,9,10)
InChI Key:
GUGWLRYNQDGMSE-UHFFFAOYSA-N
SMILES:
C1Sc2ccncc2NC1=O
UNII:
ID5Y31B3Q6
NSC Number:
648929
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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