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16002-29-2 | Acetic acid, 2,2'-thiobis-, 1,1'-dimethyl ester
CAS No: 16002-29-2 Catalog No: AG001RLU MDL No:MFCD00234244
Product Description
Catalog Number:
AG001RLU
Chemical Name:
Acetic acid, 2,2'-thiobis-, 1,1'-dimethyl ester
CAS Number:
16002-29-2
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD00234244
IUPAC Name:
methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate
InChI:
InChI=1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3
InChI Key:
ZQUQLLPRRJVUES-UHFFFAOYSA-N
SMILES:
COC(=O)CSCC(=O)OC
EC Number:
240-135-4
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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