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105683-41-8 | 1,3-Dithiol-1-ium, 2-(dodecylthio)-, iodide
CAS No: 105683-41-8 Catalog No: AG008460 MDL No:
Product Description
Catalog Number:
AG008460
Chemical Name:
1,3-Dithiol-1-ium, 2-(dodecylthio)-, iodide
CAS Number:
105683-41-8
Molecular Formula:
C15H27IS3
Molecular Weight:
430.4744
IUPAC Name:
2-dodecylsulfanyl-1,3-dithiol-1-ium;iodide
InChI:
InChI=1S/C15H27S3.HI/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17-13-14-18-15;/h13-14H,2-12H2,1H3;1H/q+1;/p-1
InChI Key:
BIDYWFZCLMPXCP-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCSc1[s+]ccs1.[I-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.465g/mol
Monoisotopic Mass:
430.032g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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