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Home > Indoles and Oxindole > 156953-82-1
156953-82-1 | 1,3-Thiazino[6,5-b]indol-4(9H)-one, 2-methoxy-
CAS No: 156953-82-1 Catalog No: AG001P40 MDL No:
Product Description
Catalog Number:
AG001P40
Chemical Name:
1,3-Thiazino[6,5-b]indol-4(9H)-one, 2-methoxy-
CAS Number:
156953-82-1
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
IUPAC Name:
2-methoxy-9H-[1,3]thiazino[6,5-b]indol-4-one
InChI:
InChI=1S/C11H8N2O2S/c1-15-11-13-9(14)8-6-4-2-3-5-7(6)12-10(8)16-11/h2-5,12H,1H3
InChI Key:
YCFLCHMHGBXTCU-UHFFFAOYSA-N
SMILES:
COc1nc(=O)c2c(s1)[nH]c1c2cccc1
NSC Number:
722428
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.257g/mol
Monoisotopic Mass:
232.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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