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138548-45-5 | Ethanediamide, N1-[3-[(2-amino-1,2-dithioxoethyl)amino]-2,2-dimethylpropyl]-
CAS No: 138548-45-5 Catalog No: AG0019EJ MDL No:
Product Description
Catalog Number:
AG0019EJ
Chemical Name:
Ethanediamide, N1-[3-[(2-amino-1,2-dithioxoethyl)amino]-2,2-dimethylpropyl]-
CAS Number:
138548-45-5
Molecular Formula:
C9H16N4O2S2
Molecular Weight:
276.3789
IUPAC Name:
N'-[3-[(2-amino-2-sulfanylideneethanethioyl)amino]-2,2-dimethylpropyl]oxamide
InChI:
InChI=1S/C9H16N4O2S2/c1-9(2,3-12-7(15)5(10)14)4-13-8(17)6(11)16/h3-4H2,1-2H3,(H2,10,14)(H2,11,16)(H,12,15)(H,13,17)
InChI Key:
UVFNAQGEKKEMOG-UHFFFAOYSA-N
SMILES:
NC(=O)C(=O)NCC(CNC(=S)C(=S)N)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
276.373g/mol
Monoisotopic Mass:
276.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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