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87274-57-5 | Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester
CAS No: 87274-57-5 Catalog No: AG004PG4 MDL No:
Product Description
Catalog Number:
AG004PG4
Chemical Name:
Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester
CAS Number:
87274-57-5
Molecular Formula:
C9H19O3PS
Molecular Weight:
238.2841
IUPAC Name:
diethoxy-(3-methylbut-3-enoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C9H19O3PS/c1-5-10-13(14,11-6-2)12-8-7-9(3)4/h3,5-8H2,1-2,4H3
InChI Key:
UWGKWPJJZGBVBK-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OCC)OCCC(=C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.282g/mol
Monoisotopic Mass:
238.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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