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116508-14-6 | 1,3,2-Oxathiaphosphorinane, 2-methoxy-6-methyl-, 2-oxide
CAS No: 116508-14-6 Catalog No: AG000CN3 MDL No:
Product Description
Catalog Number:
AG000CN3
Chemical Name:
1,3,2-Oxathiaphosphorinane, 2-methoxy-6-methyl-, 2-oxide
CAS Number:
116508-14-6
Molecular Formula:
C5H11O3PS
Molecular Weight:
182.1778
IUPAC Name:
2-methoxy-6-methyl-1,3,2λ5-oxathiaphosphinane 2-oxide
InChI:
InChI=1S/C5H11O3PS/c1-5-3-4-10-9(6,7-2)8-5/h5H,3-4H2,1-2H3
InChI Key:
ZYBVWAOLOHFRJW-UHFFFAOYSA-N
SMILES:
COP1(=O)SCCC(O1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.174g/mol
Monoisotopic Mass:
182.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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