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125255-17-6 | 3H-1,2,4-Triazino[5,6-b]indole-3-thione, 6-chloro-2,4-dihydro-
CAS No: 125255-17-6 Catalog No: AG000NE1 MDL No:
Product Description
Catalog Number:
AG000NE1
Chemical Name:
3H-1,2,4-Triazino[5,6-b]indole-3-thione, 6-chloro-2,4-dihydro-
CAS Number:
125255-17-6
Molecular Formula:
C9H5ClN4S
Molecular Weight:
236.6808
IUPAC Name:
6-chloro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C9H5ClN4S/c10-5-3-1-2-4-6(5)11-8-7(4)13-14-9(15)12-8/h1-3H,(H2,11,12,14,15)
InChI Key:
YMUAYOVHQINORF-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc2c([nH]1)nc1c2cccc1Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.677g/mol
Monoisotopic Mass:
235.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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