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2511-13-9 | Phosphonothioic acid, propyl-, O,S-diethyl ester (6CI,7CI,9CI)
CAS No: 2511-13-9 Catalog No: AG002QIW MDL No:
Product Description
Catalog Number:
AG002QIW
Chemical Name:
Phosphonothioic acid, propyl-, O,S-diethyl ester (6CI,7CI,9CI)
CAS Number:
2511-13-9
Molecular Formula:
C7H17O2PS
Molecular Weight:
196.2474
IUPAC Name:
1-[ethoxy(ethylsulfanyl)phosphoryl]propane
InChI:
InChI=1S/C7H17O2PS/c1-4-7-10(8,9-5-2)11-6-3/h4-7H2,1-3H3
InChI Key:
IOFHZDROESIVQH-UHFFFAOYSA-N
SMILES:
CCCP(=O)(SCC)OCC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.245g/mol
Monoisotopic Mass:
196.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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