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Home > Fluorides > 917750-30-2
917750-30-2 | 11-Thia-2,4,10-triaza-benzo[b]fluorene-1-thiol
CAS No: 917750-30-2 Catalog No: AG01FFLN MDL No:
Product Description
Catalog Number:
AG01FFLN
Chemical Name:
11-Thia-2,4,10-triaza-benzo[b]fluorene-1-thiol
CAS Number:
917750-30-2
Molecular Formula:
C13H7N3S2
Molecular Weight:
269.3448
IUPAC Name:
17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),13-heptaene-15-thione
InChI:
InChI=1S/C13H7N3S2/c17-12-11-10(14-6-15-12)8-5-7-3-1-2-4-9(7)16-13(8)18-11/h1-6H,(H,14,15,17)
InChI Key:
OISZTUMJXPGANF-UHFFFAOYSA-N
SMILES:
Sc1ncnc2c1sc1c2cc2c(n1)cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.34g/mol
Monoisotopic Mass:
269.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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