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Home > Indoles and Oxindole > 189830-87-3
189830-87-3 | Acetamide, 2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189830-87-3 Catalog No: AG002E0V MDL No:MFCD00434098
Product Description
Catalog Number:
AG002E0V
Chemical Name:
Acetamide, 2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189830-87-3
Molecular Formula:
C11H9N5OS
Molecular Weight:
259.2871
MDL Number:
MFCD00434098
IUPAC Name:
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C11H9N5OS/c12-8(17)5-18-11-14-10-9(15-16-11)6-3-1-2-4-7(6)13-10/h1-4H,5H2,(H2,12,17)(H,13,14,16)
InChI Key:
SCVWHXMRMNNRGK-UHFFFAOYSA-N
SMILES:
NC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.287g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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