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139605-34-8 | 8-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
CAS No: 139605-34-8 Catalog No: AG00M3XU MDL No:MFCD17212171
Product Description
Catalog Number:
AG00M3XU
Chemical Name:
8-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
CAS Number:
139605-34-8
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD17212171
IUPAC Name:
8-methyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NOS/c1-6-3-2-4-7-9(6)12-5-8(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
DJUGCLPODMCLDI-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1SCC(=O)N2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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