Home Halogens 3-chloro-5H-pyridazino[3,4-b][1,4]thiazin-6(7H)-one

3-chloro-5H-pyridazino[3,4-b][1,4]thiazin-6(7H)-one

CAS No.:
495415-02-6
Catalog Number:
AG01C7E7
Molecular Formula:
C6H4ClN3OS
Molecular Weight:
201.6335
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Product Description
Catalog Number:
AG01C7E7
Chemical Name:
3-chloro-5H-pyridazino[3,4-b][1,4]thiazin-6(7H)-one
CAS Number:
495415-02-6
Molecular Formula:
C6H4ClN3OS
Molecular Weight:
201.6335
MDL Number:
MFCD24609467
IUPAC Name:
3-chloro-5H-pyridazino[3,4-b][1,4]thiazin-6-one
InChI:
InChI=1S/C6H4ClN3OS/c7-4-1-3-6(10-9-4)12-2-5(11)8-3/h1H,2H2,(H,8,11)
InChI Key:
XYEHXVANTLBGQZ-UHFFFAOYSA-N
SMILES:
Clc1cc2NC(=O)CSc2nn1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.628g/mol
Monoisotopic Mass:
200.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties