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
-2.2503 0.2669 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5715 -0.8518 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 -0.4989 0.9505 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7204 -0.1332 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3826 -0.1186 -1.5179 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0569 0.2364 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 0.5813 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 1.2549 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3588 0.2773 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 0.1716 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2189 -1.1625 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5048 -1.7123 -0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 0.2412 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9745 0.8581 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7592 0.5894 -1.3897 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