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88974-24-7 | 2,4-Hexadienamide, N-[[(3-hydroxypropyl)amino]thioxomethyl]-, (E,E)-
CAS No: 88974-24-7 Catalog No: AG0045BA MDL No:
Product Description
Catalog Number:
AG0045BA
Chemical Name:
2,4-Hexadienamide, N-[[(3-hydroxypropyl)amino]thioxomethyl]-, (E,E)-
CAS Number:
88974-24-7
Molecular Formula:
C10H16N2O2S
Molecular Weight:
228.3112
IUPAC Name:
N-(3-hydroxypropylcarbamothioyl)hexa-2,4-dienamide
InChI:
InChI=1S/C10H16N2O2S/c1-2-3-4-6-9(14)12-10(15)11-7-5-8-13/h2-4,6,13H,5,7-8H2,1H3,(H2,11,12,14,15)
InChI Key:
ONJAAQGCKHGRJP-UHFFFAOYSA-N
SMILES:
OCCCNC(=S)NC(=O)/C=C/C=C/C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.31g/mol
Monoisotopic Mass:
228.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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