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Home > Indoles and Oxindole > 116989-27-6
116989-27-6 | 1,3,4-Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indole-5(6H)-thione
CAS No: 116989-27-6 Catalog No: AG000DG7 MDL No:
Product Description
Catalog Number:
AG000DG7
Chemical Name:
1,3,4-Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indole-5(6H)-thione
CAS Number:
116989-27-6
Molecular Formula:
C11H6N4S2
Molecular Weight:
258.3221
IUPAC Name:
14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione
InChI:
InChI=1S/C11H6N4S2/c16-10-9-8(14-11-15(10)12-5-17-11)6-3-1-2-4-7(6)13-9/h1-5,13H
InChI Key:
PNUOKUSRJJZAOC-UHFFFAOYSA-N
SMILES:
S=c1c2[nH]c3c(c2nc2n1ncs2)cccc3
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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