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31645-94-0 | Ethanone,1-(3-methyl-4H-1,4-benzothiazin-2-yl)-
CAS No: 31645-94-0 Catalog No: AG007IS1 MDL No:MFCD00053054
Product Description
Catalog Number:
AG007IS1
Chemical Name:
Ethanone,1-(3-methyl-4H-1,4-benzothiazin-2-yl)-
CAS Number:
31645-94-0
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD00053054
IUPAC Name:
1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
InChI:
InChI=1S/C11H11NOS/c1-7-11(8(2)13)14-10-6-4-3-5-9(10)12-7/h3-6,12H,1-2H3
InChI Key:
WBZVLPUFAVZNKB-UHFFFAOYSA-N
SMILES:
CC1=C(Sc2c(N1)cccc2)C(=O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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