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85108-58-3 | Acetic acid, mercapto-, 2-(2-hydroxyethoxy)ethyl ester
CAS No: 85108-58-3 Catalog No: AG004XJI MDL No:
Product Description
Catalog Number:
AG004XJI
Chemical Name:
Acetic acid, mercapto-, 2-(2-hydroxyethoxy)ethyl ester
CAS Number:
85108-58-3
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
IUPAC Name:
2-(2-hydroxyethoxy)ethyl 2-sulfanylacetate
InChI:
InChI=1S/C6H12O4S/c7-1-2-9-3-4-10-6(8)5-11/h7,11H,1-5H2
InChI Key:
UWMGZJDVTSIVDO-UHFFFAOYSA-N
SMILES:
OCCOCCOC(=O)CS
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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