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23088-84-8 | 3,7,15,19-Tetrathiatricyclo[19.3.1.19,13]hexacosa-1(25),9,11,13(26),21,23-hexaene
CAS No: 23088-84-8 Catalog No: AG002M5P MDL No:
Product Description
Catalog Number:
AG002M5P
Chemical Name:
3,7,15,19-Tetrathiatricyclo[19.3.1.19,13]hexacosa-1(25),9,11,13(26),21,23-hexaene
CAS Number:
23088-84-8
Molecular Formula:
C22H28S4
Molecular Weight:
420.7177
IUPAC Name:
3,7,15,19-tetrathiatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
InChI:
InChI=1S/C22H28S4/c1-5-19-13-20(6-1)16-24-10-4-12-26-18-22-8-2-7-21(14-22)17-25-11-3-9-23-15-19/h1-2,5-8,13-14H,3-4,9-12,15-18H2
InChI Key:
MUFBCKHHBIEYFL-UHFFFAOYSA-N
SMILES:
C1CCSCc2cccc(c2)CSCCCSCc2cc(CS1)ccc2
NSC Number:
299536
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.706g/mol
Monoisotopic Mass:
420.107g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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