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1001-16-7 | Phosphonodithioic acid, methyl-, O-(2,3,3-trichloro-2-propenyl) ester (9CI)
CAS No: 1001-16-7 Catalog No: AG0000XF MDL No:
Product Description
Catalog Number:
AG0000XF
Chemical Name:
Phosphonodithioic acid, methyl-, O-(2,3,3-trichloro-2-propenyl) ester (9CI)
CAS Number:
1001-16-7
Molecular Formula:
C4H5Cl3OPS2-
Molecular Weight:
270.5447
IUPAC Name:
methyl-sulfanylidene-sulfido-(2,3,3-trichloroprop-2-enoxy)-λ5-phosphane
InChI:
InChI=1S/C4H6Cl3OPS2/c1-9(10,11)8-2-3(5)4(6)7/h2H2,1H3,(H,10,11)/p-1
InChI Key:
KAFUFHGWVRSLEX-UHFFFAOYSA-M
SMILES:
ClC(=C(Cl)Cl)COP(=S)(C)[S-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.859g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.527g/mol
Monoisotopic Mass:
268.859g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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