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138224-18-7 | Ethenamine, N-ethyl-1-(ethylthio)-2-nitro-
CAS No: 138224-18-7 Catalog No: AG0018CG MDL No:
Product Description
Catalog Number:
AG0018CG
Chemical Name:
Ethenamine, N-ethyl-1-(ethylthio)-2-nitro-
CAS Number:
138224-18-7
Molecular Formula:
C6H12N2O2S
Molecular Weight:
176.2367
IUPAC Name:
N-ethyl-1-ethylsulfanyl-2-nitroethenamine
InChI:
InChI=1S/C6H12N2O2S/c1-3-7-6(11-4-2)5-8(9)10/h5,7H,3-4H2,1-2H3
InChI Key:
OMXCKNFOOAJBDP-UHFFFAOYSA-N
SMILES:
CCNC(=C[N+](=O)[O-])SCC
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.234g/mol
Monoisotopic Mass:
176.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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