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123405-67-4 | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-hexadecyl-5,6-dihydro-
CAS No: 123405-67-4 Catalog No: AG000KJ7 MDL No:
Product Description
Catalog Number:
AG000KJ7
Chemical Name:
1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-hexadecyl-5,6-dihydro-
CAS Number:
123405-67-4
Molecular Formula:
C21H36S5
Molecular Weight:
448.8355
IUPAC Name:
5-hexadecyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
InChI:
InChI=1S/C21H36S5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-23-19-20(24-18)26-21(22)25-19/h18H,2-17H2,1H3
InChI Key:
YFIDOAZSKPHRIQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC1CSc2c(S1)sc(=S)s2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.819g/mol
Monoisotopic Mass:
448.142g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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