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102097-55-2 | Phosphonotrithioic acid, ethyl-, mono(1,1-dimethylethyl) ester (9CI)
CAS No: 102097-55-2 Catalog No: AG0006M8 MDL No:
Product Description
Catalog Number:
AG0006M8
Chemical Name:
Phosphonotrithioic acid, ethyl-, mono(1,1-dimethylethyl) ester (9CI)
CAS Number:
102097-55-2
Molecular Formula:
C6H14PS3-
Molecular Weight:
213.3441
IUPAC Name:
tert-butylsulfanyl-ethyl-sulfanylidene-sulfido-λ5-phosphane
InChI:
InChI=1S/C6H15PS3/c1-5-7(8,9)10-6(2,3)4/h5H2,1-4H3,(H,8,9)/p-1
InChI Key:
AWTFDEAGMLOGBF-UHFFFAOYSA-M
SMILES:
CCP(=S)(SC(C)(C)C)[S-]
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.332g/mol
Monoisotopic Mass:
213g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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