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149468-15-5 | 1,3-Dithiole, 4,5-bis(hexylthio)-2-(methylthio)-
CAS No: 149468-15-5 Catalog No: AG001LQ4 MDL No:
Product Description
Catalog Number:
AG001LQ4
Chemical Name:
1,3-Dithiole, 4,5-bis(hexylthio)-2-(methylthio)-
CAS Number:
149468-15-5
Molecular Formula:
C16H30S5
Molecular Weight:
382.7344
IUPAC Name:
4,5-bis(hexylsulfanyl)-2-methylsulfanyl-1,3-dithiole
InChI:
InChI=1S/C16H30S5/c1-4-6-8-10-12-18-14-15(21-16(17-3)20-14)19-13-11-9-7-5-2/h16H,4-13H2,1-3H3
InChI Key:
QUISRELBLBAUIP-UHFFFAOYSA-N
SMILES:
CCCCCCSC1=C(SCCCCCC)SC(S1)SC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.716g/mol
Monoisotopic Mass:
382.095g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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