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30322-02-2 | 2H-1,4-Benzothiazin-3(4H)-one, 7-methyl-
CAS No: 30322-02-2 Catalog No: AG002ZRR MDL No:MFCD02660690
Product Description
Catalog Number:
AG002ZRR
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 7-methyl-
CAS Number:
30322-02-2
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD02660690
IUPAC Name:
7-methyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
ODJQMWDFNLNCTM-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)ccc(c2)C
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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