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114220-17-6 | Phosphonothioic acid, hexyl-, O,S-diethyl ester (9CI)
CAS No: 114220-17-6 Catalog No: AG000AVM MDL No:
Product Description
Catalog Number:
AG000AVM
Chemical Name:
Phosphonothioic acid, hexyl-, O,S-diethyl ester (9CI)
CAS Number:
114220-17-6
Molecular Formula:
C10H23O2PS
Molecular Weight:
238.3272
IUPAC Name:
1-[ethoxy(ethylsulfanyl)phosphoryl]hexane
InChI:
InChI=1S/C10H23O2PS/c1-4-7-8-9-10-13(11,12-5-2)14-6-3/h4-10H2,1-3H3
InChI Key:
BLGWYIRFHXRACC-UHFFFAOYSA-N
SMILES:
CCCCCCP(=O)(SCC)OCC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.326g/mol
Monoisotopic Mass:
238.116g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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