Monomers
O-ethyl prop-2-enethioate
Identifiers
IUPAC name
O-ethyl prop-2-enethioate
InchI
InChI=1S/C5H8OS/c1-3-5(7)6-4-2/h3H,1,4H2,2H3
InchI Key
LGCXBAQILOJLNI-UHFFFAOYSA-N
SMILES
CCOC(=S)C=C
Canonical SMILES
CCOC(=S)C=C
Isomeric SMILES
CCOC(=S)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8OS
Heavy Atom Count
7
Molecular Weight
116.185
Exact Molecular Weight
116.0296
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.5363
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.3849 -0.5205 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 0.2708 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1213 0.3061 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9428 0.9860 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 2.4897 -0.2759 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2202 0.3411 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4238 -0.9066 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3418 0.0265 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4583 -1.5198 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0985 -0.6916 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6391 1.2892 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0083 -0.2281 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0539 0.9207 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5817 -1.4305 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3956 -1.3331 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers