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113411-07-7 | Phosphonothioic acid, methyl-, O-ethyl O-(1-methylethyl) ester (9CI)
CAS No: 113411-07-7 Catalog No: AG0008H1 MDL No:
Product Description
Catalog Number:
AG0008H1
Chemical Name:
Phosphonothioic acid, methyl-, O-ethyl O-(1-methylethyl) ester (9CI)
CAS Number:
113411-07-7
Molecular Formula:
C6H15O2PS
Molecular Weight:
182.2209
IUPAC Name:
ethoxy-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C6H15O2PS/c1-5-7-9(4,10)8-6(2)3/h6H,5H2,1-4H3
InChI Key:
FCDIIZZDXIJDEE-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OC(C)C)C
Properties
Complexity:
136
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:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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