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23563-33-9 | 3H-1,2,4-Triazino[5,6-b]indole-3-thione, 8-bromo-2,5-dihydro-5-methyl-
CAS No: 23563-33-9 Catalog No: AG002NO4 MDL No:MFCD00090728
Product Description
Catalog Number:
AG002NO4
Chemical Name:
3H-1,2,4-Triazino[5,6-b]indole-3-thione, 8-bromo-2,5-dihydro-5-methyl-
CAS Number:
23563-33-9
Molecular Formula:
C10H7BrN4S
Molecular Weight:
295.1584
MDL Number:
MFCD00090728
IUPAC Name:
8-bromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C10H7BrN4S/c1-15-7-3-2-5(11)4-6(7)8-9(15)12-10(16)14-13-8/h2-4H,1H3,(H,12,14,16)
InChI Key:
GYYYEIYZUFTNDW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1n[nH]c(=S)nc1n2C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.158g/mol
Monoisotopic Mass:
293.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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