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2511-10-6 | Phosphonothioic acid, P-methyl-, O,S-diethyl ester
CAS No: 2511-10-6 Catalog No: AG002QIX MDL No:
Product Description
Catalog Number:
AG002QIX
Chemical Name:
Phosphonothioic acid, P-methyl-, O,S-diethyl ester
CAS Number:
2511-10-6
Molecular Formula:
C5H13O2PS
Molecular Weight:
168.1943
IUPAC Name:
1-[ethylsulfanyl(methyl)phosphoryl]oxyethane
InChI:
InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3
InChI Key:
AIMOGGQLCCAPQJ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(SCC)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.191g/mol
Monoisotopic Mass:
168.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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