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870-03-1 | Pentanamide,N,N'-1,2-ethanediylbis[5-[(2-bromoethyl)thio]-
CAS No: 870-03-1 Catalog No: AG004GRC MDL No:
Product Description
Catalog Number:
AG004GRC
Chemical Name:
Pentanamide,N,N'-1,2-ethanediylbis[5-[(2-bromoethyl)thio]-
CAS Number:
870-03-1
Molecular Formula:
C16H30Br2N2O2S2
Molecular Weight:
506.3596
IUPAC Name:
5-(2-bromoethylsulfanyl)-N-[2-[5-(2-bromoethylsulfanyl)pentanoylamino]ethyl]pentanamide
InChI:
InChI=1S/C16H30Br2N2O2S2/c17-7-13-23-11-3-1-5-15(21)19-9-10-20-16(22)6-2-4-12-24-14-8-18/h1-14H2,(H,19,21)(H,20,22)
InChI Key:
PNUYXAYDWHIMEC-UHFFFAOYSA-N
SMILES:
BrCCSCCCCC(=O)NCCNC(=O)CCCCSCCBr
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.009g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
506.356g/mol
Monoisotopic Mass:
504.012g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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