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89794-70-7 | Acetic acid, [(1-methylethyl)thio]-, ethyl ester
CAS No: 89794-70-7 Catalog No: AG003ZDN MDL No:
Product Description
Catalog Number:
AG003ZDN
Chemical Name:
Acetic acid, [(1-methylethyl)thio]-, ethyl ester
CAS Number:
89794-70-7
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
IUPAC Name:
ethyl 2-propan-2-ylsulfanylacetate
InChI:
InChI=1S/C7H14O2S/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3
InChI Key:
PPMUCFDUTIQTKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSC(C)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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