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20044-82-0 | 2,10-Dithia-16-azatricyclo[9.3.1.14,8]hexadeca-1(15),4,6,8(16),11,13-hexaene
CAS No: 20044-82-0 Catalog No: AG002CS8 MDL No:
Product Description
Catalog Number:
AG002CS8
Chemical Name:
2,10-Dithia-16-azatricyclo[9.3.1.14,8]hexadeca-1(15),4,6,8(16),11,13-hexaene
CAS Number:
20044-82-0
Molecular Formula:
C13H11NS2
Molecular Weight:
245.3631
IUPAC Name:
2,10-dithia-16-azatricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
InChI:
InChI=1S/C13H11NS2/c1-3-10-8-15-12-5-2-6-13(7-12)16-9-11(4-1)14-10/h1-7H,8-9H2
InChI Key:
DCYIJHVKTNCMIQ-UHFFFAOYSA-N
SMILES:
c1cc2SCc3cccc(CSc(c1)c2)n3
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.358g/mol
Monoisotopic Mass:
245.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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