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
2.0708 0.6143 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4973 -0.7804 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -1.0026 -0.7964 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8277 -0.3118 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3969 0.4815 -1.9934 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 -0.2897 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 0.3756 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 1.3653 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 0.6246 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2222 0.8692 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3045 -0.9678 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2821 -1.4990 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 -0.8113 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1189 0.9207 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2832 0.4112 1.5257 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