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82846-53-5 | N,N-DIETHYL-1-[1-(ETHYL-NITROSO-AMINO)ETHYLSULFANYL]METHANETHIOAMIDE
CAS No: 82846-53-5 Catalog No: AG004SM0 MDL No:
Product Description
Catalog Number:
AG004SM0
Chemical Name:
N,N-DIETHYL-1-[1-(ETHYL-NITROSO-AMINO)ETHYLSULFANYL]METHANETHIOAMIDE
CAS Number:
82846-53-5
Molecular Formula:
C9H19N3OS2
Molecular Weight:
249.3967
IUPAC Name:
1-[ethyl(nitroso)amino]ethyl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C9H19N3OS2/c1-5-11(6-2)9(14)15-8(4)12(7-3)10-13/h8H,5-7H2,1-4H3
InChI Key:
XQQHJTPIYCMLQD-UHFFFAOYSA-N
SMILES:
CCN(C(SC(=S)N(CC)CC)C)N=O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.391g/mol
Monoisotopic Mass:
249.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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