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122033-04-9 | Dibenzo[b,f]-1,2,4-triazolo[4,3-d][1,4]thiazepine-6-thiol
CAS No: 122033-04-9 Catalog No: AG0016O0 MDL No:
Product Description
Catalog Number:
AG0016O0
Chemical Name:
Dibenzo[b,f]-1,2,4-triazolo[4,3-d][1,4]thiazepine-6-thiol
CAS Number:
122033-04-9
Molecular Formula:
C14H9N3S2
Molecular Weight:
283.3714
IUPAC Name:
13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene-17-thiol
InChI:
InChI=1S/C14H9N3S2/c18-9-5-6-13-11(7-9)17-8-15-16-14(17)10-3-1-2-4-12(10)19-13/h1-8,18H
InChI Key:
GZARPHHQXRHNDY-UHFFFAOYSA-N
SMILES:
Sc1ccc2c(c1)n1cnnc1c1c(S2)cccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.367g/mol
Monoisotopic Mass:
283.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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