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
-2.6474 0.3542 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3812 -0.1307 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 -0.1206 0.6597 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9009 -0.5196 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3102 -2.0782 0.4204 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8619 0.4425 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 0.0564 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8061 -0.3399 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4827 0.2453 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 1.3613 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5851 -1.1580 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0738 0.5688 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6115 1.5171 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7834 0.7775 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3554 -0.9761 -0.4513 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