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S-[2-[N,N-Dimethylamino]N,N-dimethylcarbamoyl thiocarbohydroximate
PHCD compound ID : 3288
Chemical Names :
S-[2-[N,N-Dimethylamino]N,N-dimethylcarbamoyl thiocarbohydroximate
Molecular Formula : C8H17N3O2S1
Molecular Weight : 219.104148
More Details :
Names & Synonyms: 2-(dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxo-ethanimidothioate , (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioic acid 2-(dimethylamino)ethyl ester , 2-(dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate , 2-(dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-oxidanyl-2-oxidanylidene-ethanimidothioate , (1Z)-2-(dimethylamino)-N-hydroxy-2-keto-thioacetimidic acid 2-(dimethylamino)ethyl ester
Smiles: O/N=C(/C(=O)N(C)C)\SCCN(C)C
InChi : InChI=1S/C8H17N3O2S/c1-10(2)5-6-14-7(9-13)8(12)11(3)4/h13H,5-6H2,1-4H3/b9-7-
InChi Key : InChIKey=VCLDRJHBZHEPNO-CLFYSBASSA-N
PubChem ID : 9601683
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.715035
Hydrogen bond donor count : 1 Electric dipole moment : 5.036
XLogP : 0.053 VDW volume : 210.731176
Molecular weight : 219.104148 HOMO-LUMO gap : 8.475000
Herb list :
Refrences & Litretures:
  
447.      Journal:'Asian J Pharm Clin Res'      Year:'2012'      Volume:'2'      Page:'90'      DOI:'10.4103/0974-8490.147223'      Title:'GC-MS ANALYSIS OF CASSIA ITALICA LEAF METHANOL EXTRACT'
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