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91132-38-6 | 2H-1,4-Benzothiazin-3(4H)-one, 2-propyl-
CAS No: 91132-38-6 Catalog No: AG006QO4 MDL No:MFCD24552121
Product Description
Catalog Number:
AG006QO4
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-propyl-
CAS Number:
91132-38-6
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD24552121
IUPAC Name:
2-propyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C11H13NOS/c1-2-5-10-11(13)12-8-6-3-4-7-9(8)14-10/h3-4,6-7,10H,2,5H2,1H3,(H,12,13)
InChI Key:
HYPGKVVWNUUUIP-UHFFFAOYSA-N
SMILES:
CCCC1Sc2ccccc2NC1=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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