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24691-12-1 | 8,16-Dithiatetracyclo[16.3.1.12,6.110,14]tetracosa-1(22),2,4,6(24),10,12,14(23),18,20-nonaene
CAS No: 24691-12-1 Catalog No: AG002P25 MDL No:
Product Description
Catalog Number:
AG002P25
Chemical Name:
8,16-Dithiatetracyclo[16.3.1.12,6.110,14]tetracosa-1(22),2,4,6(24),10,12,14(23),18,20-nonaene
CAS Number:
24691-12-1
Molecular Formula:
C22H20S2
Molecular Weight:
348.5242
IUPAC Name:
8,16-dithiatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10(23),11,13,18(22),19-nonaene
InChI:
InChI=1S/C22H20S2/c1-4-17-10-18(5-1)14-24-16-20-7-3-9-22(12-20)21-8-2-6-19(11-21)15-23-13-17/h1-12H,13-16H2
InChI Key:
AFBUURBKFSNROB-UHFFFAOYSA-N
SMILES:
S1Cc2cccc(c2)c2cccc(c2)CSCc2cc(C1)ccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.522g/mol
Monoisotopic Mass:
348.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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