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190841-60-2 | Dinaphtho[2,1-d:1',2'-f][1,3]dithiepin, 6,10-dimethyl-
CAS No: 190841-60-2 Catalog No: AG002EVF MDL No:
Product Description
Catalog Number:
AG002EVF
Chemical Name:
Dinaphtho[2,1-d:1',2'-f][1,3]dithiepin, 6,10-dimethyl-
CAS Number:
190841-60-2
Molecular Formula:
C23H18S2
Molecular Weight:
358.5190
IUPAC Name:
10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
InChI:
InChI=1S/C23H18S2/c1-14-11-16-7-3-5-9-18(16)20-21-19-10-6-4-8-17(19)12-15(2)23(21)25-13-24-22(14)20/h3-12H,13H2,1-2H3
InChI Key:
FZEJKYQFNJWSPX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c1c(c(c2)C)SCSc2c1c1ccccc1cc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.517g/mol
Monoisotopic Mass:
358.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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