Home Other Building Blocks ethyl 2-(thian-4-yl)acetate

ethyl 2-(thian-4-yl)acetate

CAS No.:
218624-29-4
Catalog Number:
AG01A50K
Molecular Formula:
C9H16O2S
Molecular Weight:
188.2871
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Product Description
Catalog Number:
AG01A50K
Chemical Name:
ethyl 2-(thian-4-yl)acetate
CAS Number:
218624-29-4
Molecular Formula:
C9H16O2S
Molecular Weight:
188.2871
MDL Number:
MFCD19688077
IUPAC Name:
ethyl 2-(thian-4-yl)acetate
InChI:
InChI=1S/C9H16O2S/c1-2-11-9(10)7-8-3-5-12-6-4-8/h8H,2-7H2,1H3
InChI Key:
WGKQUBVOAJZQCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCSCC1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.087g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.285g/mol
Monoisotopic Mass:
188.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties