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
-2.6892 0.3518 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2763 0.2853 -0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5312 -0.5726 0.1499 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8087 -0.8499 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2372 -2.4055 -0.2555 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 0.2009 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0928 -0.0563 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3146 -0.2730 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7907 -0.0972 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0356 1.4044 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2294 -0.1864 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 1.3030 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 1.2348 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8255 0.7268 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4275 -1.0660 -0.4241 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