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73718-26-0 | 2-Benzylsulfanyl-9H-1,3,4,9-tetraaza-fluorene
CAS No: 73718-26-0 Catalog No: AG01EX8P MDL No:
Product Description
Catalog Number:
AG01EX8P
Chemical Name:
2-Benzylsulfanyl-9H-1,3,4,9-tetraaza-fluorene
CAS Number:
73718-26-0
Molecular Formula:
C16H12N4S
Molecular Weight:
292.3583
IUPAC Name:
3-benzylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
InChI:
InChI=1S/C16H12N4S/c1-2-6-11(7-3-1)10-21-16-18-15-14(19-20-16)12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18,20)
InChI Key:
WBVHPGIBBFVLKN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.36g/mol
Monoisotopic Mass:
292.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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