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31848-17-6 | 2H-1,2-Benzothiazin-3(4H)-one,2-butyl-, 1,1-dioxide
CAS No: 31848-17-6 Catalog No: AG007I6M MDL No:
Product Description
Catalog Number:
AG007I6M
Chemical Name:
2H-1,2-Benzothiazin-3(4H)-one,2-butyl-, 1,1-dioxide
CAS Number:
31848-17-6
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
2-butyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
InChI:
InChI=1S/C12H15NO3S/c1-2-3-8-13-12(14)9-10-6-4-5-7-11(10)17(13,15)16/h4-7H,2-3,8-9H2,1H3
InChI Key:
LBYMBFCTABAPDE-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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