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
-2.2912 0.6817 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 -0.6861 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3849 -0.7037 0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 -0.0103 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 1.4394 -0.8926 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0477 -0.5477 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1246 0.0857 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3912 0.5398 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9747 1.1988 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9593 1.2447 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 -1.1656 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3157 -1.3234 0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1912 -1.4954 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9738 1.0513 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1082 -0.3091 -0.2425 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