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20819-59-4 | Acetic acid, 2-[(diethoxyphosphinothioyl)thio]-
CAS No: 20819-59-4 Catalog No: AG002JKG MDL No:
Product Description
Catalog Number:
AG002JKG
Chemical Name:
Acetic acid, 2-[(diethoxyphosphinothioyl)thio]-
CAS Number:
20819-59-4
Molecular Formula:
C6H13O4PS2
Molecular Weight:
244.2688
IUPAC Name:
2-diethoxyphosphinothioylsulfanylacetic acid
InChI:
InChI=1S/C6H13O4PS2/c1-3-9-11(12,10-4-2)13-5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChI Key:
YKLHDDRDTMJRJK-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OCC)SCC(=O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.26g/mol
Monoisotopic Mass:
243.999g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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