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Home Halogens 4-chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one

4-chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one

CAS No.:
20015-70-7
Catalog Number:
AG01AV4N
Molecular Formula:
C6H4ClN3OS
Molecular Weight:
201.6335
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Product Description
Catalog Number:
AG01AV4N
Chemical Name:
4-chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one
CAS Number:
20015-70-7
Molecular Formula:
C6H4ClN3OS
Molecular Weight:
201.6335
MDL Number:
MFCD24576485
IUPAC Name:
4-chloro-5H-pyrimido[4,5-b][1,4]thiazin-6-one
InChI:
InChI=1S/C6H4ClN3OS/c7-5-4-6(9-2-8-5)12-1-3(11)10-4/h2H,1H2,(H,10,11)
InChI Key:
MKDDAWZPKMATGS-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)c(Cl)ncn2
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:
1  
Properties