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83170-56-3 | 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-propyl-
CAS No: 83170-56-3 Catalog No: AG008JDM MDL No:
Product Description
Catalog Number:
AG008JDM
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-propyl-
CAS Number:
83170-56-3
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
4-methyl-2-propyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C12H15NOS/c1-3-6-11-12(14)13(2)9-7-4-5-8-10(9)15-11/h4-5,7-8,11H,3,6H2,1-2H3
InChI Key:
BRTQPZCUDNZLHO-UHFFFAOYSA-N
SMILES:
CCCC1Sc2ccccc2N(C1=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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