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112614-14-9 | 2-Hexenamide,N,N'-(dithiodi-2,1-ethanediyl)bis-, (E,E)- (9CI)
CAS No: 112614-14-9 Catalog No: AG007SQL MDL No:
Product Description
Catalog Number:
AG007SQL
Chemical Name:
2-Hexenamide,N,N'-(dithiodi-2,1-ethanediyl)bis-, (E,E)- (9CI)
CAS Number:
112614-14-9
Molecular Formula:
C16H28N2O2S2
Molecular Weight:
344.5357
IUPAC Name:
N-[2-[2-(hex-2-enoylamino)ethyldisulfanyl]ethyl]hex-2-enamide
InChI:
InChI=1S/C16H28N2O2S2/c1-3-5-7-9-15(19)17-11-13-21-22-14-12-18-16(20)10-8-6-4-2/h7-10H,3-6,11-14H2,1-2H3,(H,17,19)(H,18,20)
InChI Key:
HDSNHLKSQJFDSY-UHFFFAOYSA-N
SMILES:
CCCC=CC(=O)NCCSSCCNC(=O)C=CCCC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.532g/mol
Monoisotopic Mass:
344.159g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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