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168784-35-8 | DIPHENANTHRO[3,4-B:4',3'-D]THIOPHENE
CAS No: 168784-35-8 Catalog No: AG001Y9X MDL No:
Product Description
Catalog Number:
AG001Y9X
Chemical Name:
DIPHENANTHRO[3,4-B:4',3'-D]THIOPHENE
CAS Number:
168784-35-8
Molecular Formula:
C28H16S
Molecular Weight:
384.4916
IUPAC Name:
16-thiaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaene
InChI:
InChI=1S/C28H16S/c1-3-7-21-17(5-1)9-11-19-13-15-23-27(25(19)21)28-24(29-23)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16H
InChI Key:
UNKICAROUFRVIX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1c2c2c(cc1)sc1c2c2c(cc1)ccc1c2cccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.097g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.496g/mol
Monoisotopic Mass:
384.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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