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190-38-5 | 16H-Benzo[4,5]phenaleno[1,2,3-kl]thioxanthene
CAS No: 190-38-5 Catalog No: AG002E87 MDL No:
Product Description
Catalog Number:
AG002E87
Chemical Name:
16H-Benzo[4,5]phenaleno[1,2,3-kl]thioxanthene
CAS Number:
190-38-5
Molecular Formula:
C27H16S
Molecular Weight:
372.4809
IUPAC Name:
9-thiaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecaene
InChI:
InChI=1S/C27H16S/c1-2-9-18-16(7-1)15-17-8-5-11-19-20-12-6-14-23-25(20)27(26(18)24(17)19)21-10-3-4-13-22(21)28-23/h1-14H,15H2
InChI Key:
TYIBKTIYNXOHGW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Cc1c3c2c2c4ccccc4Sc4c2c(c3ccc1)ccc4
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.097g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.485g/mol
Monoisotopic Mass:
372.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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