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7659-86-1 | Thioglycolic Acid 2-Ethylhexyl Ester
CAS No: 7659-86-1 Catalog No: AG00329O MDL No:MFCD00022081
Product Description
Catalog Number:
AG00329O
Chemical Name:
Thioglycolic Acid 2-Ethylhexyl Ester
CAS Number:
7659-86-1
Molecular Formula:
C10H20O2S
Molecular Weight:
204.3296
MDL Number:
MFCD00022081
IUPAC Name:
2-ethylhexyl 2-sulfanylacetate
InChI:
InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
InChI Key:
OWHSTLLOZWTNTQ-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CS)CC
EC Number:
231-626-4
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.118g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.328g/mol
Monoisotopic Mass:
204.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Tiered environmental risk assessment of methyltins from heat stabilizers in rigid PVC in Sweden. | Regulatory toxicology and pharmacology : RTP 20050201 |
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