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54091-78-0 | Diethyl (ethylthiomethyl)phosphonate
CAS No: 54091-78-0 Catalog No: AG003PEX MDL No:MFCD00009269
Product Description
Catalog Number:
AG003PEX
Chemical Name:
Diethyl (ethylthiomethyl)phosphonate
CAS Number:
54091-78-0
Molecular Formula:
C7H17O3PS
Molecular Weight:
212.2468
MDL Number:
MFCD00009269
IUPAC Name:
1-[ethoxy(ethylsulfanylmethyl)phosphoryl]oxyethane
InChI:
InChI=1S/C7H17O3PS/c1-4-9-11(8,10-5-2)7-12-6-3/h4-7H2,1-3H3
InChI Key:
FTTKKJQNGIJGOC-UHFFFAOYSA-N
SMILES:
CCSCP(=O)(OCC)OCC
EC Number:
258-971-3
NSC Number:
140826
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.244g/mol
Monoisotopic Mass:
212.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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