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
-2.0846 0.9254 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7114 -0.5309 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5313 -0.7673 -0.8208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6344 -0.0823 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6885 1.5369 -0.4366 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8531 -0.8449 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 -0.2371 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6699 1.5458 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1892 1.0099 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 1.3218 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5152 -1.2115 -0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5454 -0.7768 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8783 -1.9297 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0128 0.8307 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9008 -0.7899 0.0707 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