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151095-12-4 | 1H-Thieno[2,3-b][1,4]thiazin-2(3H)-one, 6-acetyl-
CAS No: 151095-12-4 Catalog No: AG001N39 MDL No:MFCD00219772
Product Description
Catalog Number:
AG001N39
Chemical Name:
1H-Thieno[2,3-b][1,4]thiazin-2(3H)-one, 6-acetyl-
CAS Number:
151095-12-4
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD00219772
IUPAC Name:
6-acetyl-1H-thieno[2,3-b][1,4]thiazin-2-one
InChI:
InChI=1S/C8H7NO2S2/c1-4(10)6-2-5-8(13-6)12-3-7(11)9-5/h2H,3H2,1H3,(H,9,11)
InChI Key:
NFJDUFIHRNIEIY-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc(s2)C(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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