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Home > Indoles and Oxindole > 354548-36-0
354548-36-0 | 8-ethyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
CAS No: 354548-36-0 Catalog No: AG0197GW MDL No:
Product Description
Catalog Number:
AG0197GW
Chemical Name:
8-ethyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
CAS Number:
354548-36-0
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
IUPAC Name:
8-ethyl-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C11H10N4S/c1-2-6-3-4-8-7(5-6)9-10(12-8)13-11(16)15-14-9/h3-5H,2H2,1H3,(H2,12,13,15,16)
InChI Key:
IGWALTZGBYKKEF-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c1n[nH]c(=S)nc1[nH]2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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