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126969-33-3 | Phosphoric acid, monoethyl mono(2-mercaptoethyl) ester
CAS No: 126969-33-3 Catalog No: AG000WGW MDL No:
Product Description
Catalog Number:
AG000WGW
Chemical Name:
Phosphoric acid, monoethyl mono(2-mercaptoethyl) ester
CAS Number:
126969-33-3
Molecular Formula:
C4H10O4PS-
Molecular Weight:
185.1586
IUPAC Name:
ethyl 2-sulfanylethyl phosphate
InChI:
InChI=1S/C4H11O4PS/c1-2-7-9(5,6)8-3-4-10/h10H,2-4H2,1H3,(H,5,6)/p-1
InChI Key:
ZIURZTXFZLPRRR-UHFFFAOYSA-M
SMILES:
SCCOP(=O)(OCC)[O-]
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.004g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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