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144602-01-7 | Propanoic acid, 2-oxo-, 2-(1,3-dithiolan-2-ylidene)hydrazide
CAS No: 144602-01-7 Catalog No: AG001JUE MDL No:
Product Description
Catalog Number:
AG001JUE
Chemical Name:
Propanoic acid, 2-oxo-, 2-(1,3-dithiolan-2-ylidene)hydrazide
CAS Number:
144602-01-7
Molecular Formula:
C6H8N2O2S2
Molecular Weight:
204.2699
IUPAC Name:
N-(1,3-dithiolan-2-ylideneamino)-2-oxopropanamide
InChI:
InChI=1S/C6H8N2O2S2/c1-4(9)5(10)7-8-6-11-2-3-12-6/h2-3H2,1H3,(H,7,10)
InChI Key:
XVEYZKRFWONYNJ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)C)NN=C1SCCS1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.262g/mol
Monoisotopic Mass:
204.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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