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
2.6589 0.2818 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2646 -0.1585 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5326 -0.0909 0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7925 -0.4633 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1600 -1.9950 0.7859 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8139 0.4783 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0892 0.1361 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3196 -0.6309 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7693 0.7977 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0966 0.9379 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 0.4412 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -1.2162 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5244 1.5054 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3838 -0.8716 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8287 0.8480 -0.3920 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