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26259-78-9 | Phosphonodithioic acid, ethyl-, O-(2-methylpropyl) ester (9CI)
CAS No: 26259-78-9 Catalog No: AG002SHF MDL No:
Product Description
Catalog Number:
AG002SHF
Chemical Name:
Phosphonodithioic acid, ethyl-, O-(2-methylpropyl) ester (9CI)
CAS Number:
26259-78-9
Molecular Formula:
C6H14OPS2-
Molecular Weight:
197.2785
IUPAC Name:
ethyl-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
InChI:
InChI=1S/C6H15OPS2/c1-4-8(9,10)7-5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10)/p-1
InChI Key:
HJVMMLHJZWEUPU-UHFFFAOYSA-M
SMILES:
CCP(=S)(OCC(C)C)[S-]
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.022g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.271g/mol
Monoisotopic Mass:
197.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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