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23060-14-2 | Butanedioic acid, 2-mercapto-, 1,4-diethyl ester
CAS No: 23060-14-2 Catalog No: AG002M2Q MDL No:MFCD00015159
Product Description
Catalog Number:
AG002M2Q
Chemical Name:
Butanedioic acid, 2-mercapto-, 1,4-diethyl ester
CAS Number:
23060-14-2
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
MDL Number:
MFCD00015159
IUPAC Name:
diethyl 2-sulfanylbutanedioate
InChI:
InChI=1S/C8H14O4S/c1-3-11-7(9)5-6(13)8(10)12-4-2/h6,13H,3-5H2,1-2H3
InChI Key:
KLXFSKITMRWDPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(=O)OCC)S
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Heterogeneous ozonation of suspended malathion and chlorpyrifos particles. | Chemosphere 20100401 |
| Involvement of chromosomally-encoded genes in malathion utilization by Pseudomonas aeruginosa AA112. | Acta microbiologica et immunologica Hungarica 20070901 |
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