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866363-55-5 | 1,2,8,9-Dibenzothiophenetetramine
CAS No: 866363-55-5 Catalog No: AG004TY5 MDL No:
Product Description
Catalog Number:
AG004TY5
Chemical Name:
1,2,8,9-Dibenzothiophenetetramine
CAS Number:
866363-55-5
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
IUPAC Name:
dibenzothiophene-1,2,8,9-tetramine
InChI:
InChI=1S/C12H12N4S/c13-5-1-3-7-9(11(5)15)10-8(17-7)4-2-6(14)12(10)16/h1-4H,13-16H2
InChI Key:
YNARDQOXQPNZHE-UHFFFAOYSA-N
SMILES:
Nc1c(N)ccc2c1c1c(s2)ccc(c1N)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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