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
-2.2856 -0.1885 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2577 0.9062 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0688 0.4674 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6023 -0.5049 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4489 -1.5245 0.9802 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0254 -0.6231 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 0.1631 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6767 -0.4340 0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8538 -1.0705 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1593 0.1613 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4936 1.7046 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 1.3584 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 -1.3998 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9729 0.0236 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 0.9607 -0.6854 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