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105674-81-5 | 2-Octenamide,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI)
CAS No: 105674-81-5 Catalog No: AG007DLT MDL No:
Product Description
Catalog Number:
AG007DLT
Chemical Name:
2-Octenamide,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI)
CAS Number:
105674-81-5
Molecular Formula:
C20H36N2O2S2
Molecular Weight:
400.6420
IUPAC Name:
N-[2-[2-(oct-2-enoylamino)ethyldisulfanyl]ethyl]oct-2-enamide
InChI:
InChI=1S/C20H36N2O2S2/c1-3-5-7-9-11-13-19(23)21-15-17-25-26-18-16-22-20(24)14-12-10-8-6-4-2/h11-14H,3-10,15-18H2,1-2H3,(H,21,23)(H,22,24)
InChI Key:
DQXKOHDUMJLXKH-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(=O)NCCSSCCNC(=O)C=CCCCCC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.222g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.64g/mol
Monoisotopic Mass:
400.222g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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