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2455-45-0 | Phosphonothioic acid, P-ethyl-, O,O-diethyl ester
CAS No: 2455-45-0 Catalog No: AG002OIG MDL No:
Product Description
Catalog Number:
AG002OIG
Chemical Name:
Phosphonothioic acid, P-ethyl-, O,O-diethyl ester
CAS Number:
2455-45-0
Molecular Formula:
C6H15O2PS
Molecular Weight:
182.2209
IUPAC Name:
diethoxy-ethyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C6H15O2PS/c1-4-7-9(10,6-3)8-5-2/h4-6H2,1-3H3
InChI Key:
QYCVXOPKANTCLT-UHFFFAOYSA-N
SMILES:
CCP(=S)(OCC)OCC
NSC Number:
407827
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.218g/mol
Monoisotopic Mass:
182.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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