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
-2.3956 0.7609 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4121 -0.3718 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 0.0997 -0.4371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9156 -0.8620 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -2.4518 -0.6109 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3013 -0.4631 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 0.8060 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3097 0.4251 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 0.9672 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9727 1.6908 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4083 -0.9326 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7056 -1.0973 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1016 -1.1842 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6328 1.0878 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7899 1.5255 -0.1274 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