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Home > Indoles and Oxindole > 353786-74-0
353786-74-0 | 6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS No: 353786-74-0 Catalog No: AG00ITHT MDL No:MFCD01567562
Product Description
Catalog Number:
AG00ITHT
Chemical Name:
6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Number:
353786-74-0
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
MDL Number:
MFCD01567562
IUPAC Name:
6,8-dimethyl-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C11H10N4S/c1-5-3-6(2)8-7(4-5)9-10(12-8)13-11(16)15-14-9/h3-4H,1-2H3,(H2,12,13,15,16)
InChI Key:
VZKXOKIJXOPLJD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c1nnc(nc1[nH]2)S
Properties
Complexity:
401
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:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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