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870196-83-1 | 2-Cyanopropan-2-yl dodecyl carbonotrithioate
CAS No: 870196-83-1 Catalog No: AG003H3U MDL No:
Product Description
Catalog Number:
AG003H3U
Chemical Name:
2-Cyanopropan-2-yl dodecyl carbonotrithioate
CAS Number:
870196-83-1
Molecular Formula:
C17H31NS3
Molecular Weight:
345.6297
IUPAC Name:
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
InChI:
InChI=1S/C17H31NS3/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-17(2,3)15-18/h4-14H2,1-3H3
InChI Key:
QSVOWVXHKOQYIP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=S)SC(C#N)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.622g/mol
Monoisotopic Mass:
345.162g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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