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189498-28-0 | [2,2':5',2''-Terthiophene]-5-hexanethiol
CAS No: 189498-28-0 Catalog No: AG002DP6 MDL No:
Product Description
Catalog Number:
AG002DP6
Chemical Name:
[2,2':5',2''-Terthiophene]-5-hexanethiol
CAS Number:
189498-28-0
Molecular Formula:
C18H20S4
Molecular Weight:
364.6114
IUPAC Name:
6-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hexane-1-thiol
InChI:
InChI=1S/C18H20S4/c19-12-4-2-1-3-6-14-8-9-17(21-14)18-11-10-16(22-18)15-7-5-13-20-15/h5,7-11,13,19H,1-4,6,12H2
InChI Key:
FRPJYFLKKCIFTC-UHFFFAOYSA-N
SMILES:
SCCCCCCc1ccc(s1)c1ccc(s1)c1cccs1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.598g/mol
Monoisotopic Mass:
364.045g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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