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1040021-86-0 | Ethyl 2-[(2,5-dimethylphenyl)sulfanyl]acetate
CAS No: 1040021-86-0 Catalog No: AG01FA7N MDL No:MFCD11174590
Product Description
Catalog Number:
AG01FA7N
Chemical Name:
Ethyl 2-[(2,5-dimethylphenyl)sulfanyl]acetate
CAS Number:
1040021-86-0
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
MDL Number:
MFCD11174590
IUPAC Name:
ethyl 2-(2,5-dimethylphenyl)sulfanylacetate
InChI:
InChI=1S/C12H16O2S/c1-4-14-12(13)8-15-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3
InChI Key:
DHPCJXPYGBAYCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1cc(C)ccc1C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.318g/mol
Monoisotopic Mass:
224.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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