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150096-94-9 | Phosphonodithioic acid, ethyl-, S,S-dipropyl ester (9CI)
CAS No: 150096-94-9 Catalog No: AG001MBQ MDL No:
Product Description
Catalog Number:
AG001MBQ
Chemical Name:
Phosphonodithioic acid, ethyl-, S,S-dipropyl ester (9CI)
CAS Number:
150096-94-9
Molecular Formula:
C8H19OPS2
Molecular Weight:
226.3396
IUPAC Name:
1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
InChI:
InChI=1S/C8H19OPS2/c1-4-7-11-10(9,6-3)12-8-5-2/h4-8H2,1-3H3
InChI Key:
JOZCFRHHLBAHJZ-UHFFFAOYSA-N
SMILES:
CCP(=O)(SCCC)SCCC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.333g/mol
Monoisotopic Mass:
226.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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