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
-2.3379 0.1087 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1374 -0.2681 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 0.4807 -0.7096 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 0.5600 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 1.1747 1.7643 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9983 0.1293 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7632 -0.3811 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1918 -0.5079 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2259 -0.1084 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5867 1.1590 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4179 -0.0606 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 -1.3452 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4194 0.2331 1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7656 -0.6757 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -0.4985 -1.2161 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