Home Other Building Blocks 1H,2H,3H-thieno[2,3-b][1,4]thiazin-2-one

1H,2H,3H-thieno[2,3-b][1,4]thiazin-2-one

CAS No.:
68094-33-7
Catalog Number:
AG01A4JN
Molecular Formula:
C6H5NOS2
Molecular Weight:
171.2400
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Product Description
Catalog Number:
AG01A4JN
Chemical Name:
1H,2H,3H-thieno[2,3-b][1,4]thiazin-2-one
CAS Number:
68094-33-7
Molecular Formula:
C6H5NOS2
Molecular Weight:
171.2400
MDL Number:
MFCD08143635
IUPAC Name:
1H-thieno[2,3-b][1,4]thiazin-2-one
InChI:
InChI=1S/C6H5NOS2/c8-5-3-10-6-4(7-5)1-2-9-6/h1-2H,3H2,(H,7,8)
InChI Key:
MYBWQRMSEVRGFC-UHFFFAOYSA-N
SMILES:
C1Sc2sccc2NC1=O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.981g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.232g/mol
Monoisotopic Mass:
170.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties