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100888-63-9 | Phosphonothioic acid, hexyl-, O,O-dibutyl ester (6CI,9CI)
CAS No: 100888-63-9 Catalog No: AG000343 MDL No:
Product Description
Catalog Number:
AG000343
Chemical Name:
Phosphonothioic acid, hexyl-, O,O-dibutyl ester (6CI,9CI)
CAS Number:
100888-63-9
Molecular Formula:
C14H31O2PS
Molecular Weight:
294.4335
IUPAC Name:
dibutoxy-hexyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C14H31O2PS/c1-4-7-10-11-14-17(18,15-12-8-5-2)16-13-9-6-3/h4-14H2,1-3H3
InChI Key:
ANKMMFJDADXAQT-UHFFFAOYSA-N
SMILES:
CCCCCCP(=S)(OCCCC)OCCCC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.434g/mol
Monoisotopic Mass:
294.178g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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