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
-1.1416 1.1447 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5119 -0.3412 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5410 -1.1008 0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 -1.2362 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1624 -2.1865 -1.5070 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7808 -0.5078 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 0.2622 1.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8922 1.5875 -1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3022 1.6103 0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1057 1.2912 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7116 -0.7460 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4370 -0.3743 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7982 -0.6065 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2365 0.7801 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4437 0.4233 1.8613 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