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83318-76-7 | S-(1,1-Dimethylethyl) O-ethyl ethylphosphonothioate
CAS No: 83318-76-7 Catalog No: AG004T0K MDL No:
Product Description
Catalog Number:
AG004T0K
Chemical Name:
S-(1,1-Dimethylethyl) O-ethyl ethylphosphonothioate
CAS Number:
83318-76-7
Molecular Formula:
C8H19O2PS
Molecular Weight:
210.2740
IUPAC Name:
2-[ethoxy(ethyl)phosphoryl]sulfanyl-2-methylpropane
InChI:
InChI=1S/C8H19O2PS/c1-6-10-11(9,7-2)12-8(3,4)5/h6-7H2,1-5H3
InChI Key:
WOHOOQZHIVDEMO-UHFFFAOYSA-N
SMILES:
CCOP(=O)(SC(C)(C)C)CC
UNII:
S7B88PVC9V
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.272g/mol
Monoisotopic Mass:
210.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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