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88974-23-6 | 2,4-Hexadienamide, N-[[(2-hydroxyethyl)amino]thioxomethyl]-, (E,E)-
CAS No: 88974-23-6 Catalog No: AG0045RE MDL No:
Product Description
Catalog Number:
AG0045RE
Chemical Name:
2,4-Hexadienamide, N-[[(2-hydroxyethyl)amino]thioxomethyl]-, (E,E)-
CAS Number:
88974-23-6
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
IUPAC Name:
N-(2-hydroxyethylcarbamothioyl)hexa-2,4-dienamide
InChI:
InChI=1S/C9H14N2O2S/c1-2-3-4-5-8(13)11-9(14)10-6-7-12/h2-5,12H,6-7H2,1H3,(H2,10,11,13,14)
InChI Key:
CMDBNJGRECSERJ-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)NC(=S)NCCO
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.1
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