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116057-42-2 | Acetamide, 2-[(diethoxyphosphinothioyl)ethenylamino]-N-thiazolyl- (9CI)
CAS No: 116057-42-2 Catalog No: AG000BIA MDL No:
Product Description
Catalog Number:
AG000BIA
Chemical Name:
Acetamide, 2-[(diethoxyphosphinothioyl)ethenylamino]-N-thiazolyl- (9CI)
CAS Number:
116057-42-2
Molecular Formula:
C11H18N3O3PS2
Molecular Weight:
335.3827
IUPAC Name:
2-(2-diethoxyphosphinothioylethenylamino)-N-(1,3-thiazol-2-yl)acetamide
InChI:
InChI=1S/C11H18N3O3PS2/c1-3-16-18(19,17-4-2)7-5-12-9-10(15)14-11-13-6-8-20-11/h5-8,12H,3-4,9H2,1-2H3,(H,13,14,15)
InChI Key:
BJLRNBZUFIHPSF-UHFFFAOYSA-N
SMILES:
CCOP(=S)(C=CNCC(=O)Nc1nccs1)OCC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.377g/mol
Monoisotopic Mass:
335.053g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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