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
-2.7491 -0.1881 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3894 -0.0324 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4332 0.4329 0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8817 0.6413 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2796 2.0460 -0.4778 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9238 -0.3299 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 -0.1224 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9991 -1.2518 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4903 0.1585 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 0.3670 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0334 -1.0560 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3684 0.5842 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 -1.2638 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4397 0.8306 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9655 -0.8162 0.2711 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