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120-88-7 | Ethanedithioamide, N1,N2-didodecyl-
CAS No: 120-88-7 Catalog No: AG000Q1H MDL No:MFCD00053734
Product Description
Catalog Number:
AG000Q1H
Chemical Name:
Ethanedithioamide, N1,N2-didodecyl-
CAS Number:
120-88-7
Molecular Formula:
C26H52N2S2
Molecular Weight:
456.8345
MDL Number:
MFCD00053734
IUPAC Name:
N,N'-didodecylethanedithioamide
InChI:
InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChI Key:
MQCQUDOKUAAVFO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC
EC Number:
204-433-8
UNII:
10CR9F93BF
NSC Number:
44699
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.357g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.836g/mol
Monoisotopic Mass:
456.357g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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