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796045-97-1 | Cyanomethyl dodecyl trithiocarbonate
CAS No: 796045-97-1 Catalog No: AG003P3J MDL No:
Product Description
Catalog Number:
AG003P3J
Chemical Name:
Cyanomethyl dodecyl trithiocarbonate
CAS Number:
796045-97-1
Molecular Formula:
C15H27NS3
Molecular Weight:
317.5766
IUPAC Name:
2-dodecylsulfanylcarbothioylsulfanylacetonitrile
InChI:
InChI=1S/C15H27NS3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15(17)19-14-12-16/h2-11,13-14H2,1H3
InChI Key:
URUIKGRSOJEVQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=S)SCC#N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.568g/mol
Monoisotopic Mass:
317.131g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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