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
-2.7844 -0.0127 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3838 -0.3117 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 0.5520 -0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9040 0.3304 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 0.0763 1.8622 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9730 0.3164 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2224 0.1060 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0630 1.0529 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4663 -0.5486 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0471 -0.4640 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1369 -1.3395 0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3259 -0.2680 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7242 0.4836 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 0.0930 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5079 -0.0662 0.6930 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