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75565-02-5 | 9-Trifluoromethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS No: 75565-02-5 Catalog No: AG01F7DE MDL No:
Product Description
Catalog Number:
AG01F7DE
Chemical Name:
9-Trifluoromethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Number:
75565-02-5
Molecular Formula:
C10H5F3N4S
Molecular Weight:
270.2337
IUPAC Name:
9-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C10H5F3N4S/c11-10(12,13)4-2-1-3-5-6(4)7-8(14-5)15-9(18)17-16-7/h1-3H,(H2,14,15,17,18)
InChI Key:
ILZJYPUQZKBNJV-UHFFFAOYSA-N
SMILES:
Sc1nnc2c(n1)[nH]c1c2c(ccc1)C(F)(F)F
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.233g/mol
Monoisotopic Mass:
270.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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