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
-1.7609 -0.3727 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4146 -0.0128 -1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2592 0.7619 -1.2166 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 0.2669 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 -0.3229 -1.7988 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2161 0.2723 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3410 -0.1909 1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 -1.0848 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8771 0.5125 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7161 -0.9693 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 -0.9927 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2562 0.5526 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4859 0.6727 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5319 -0.1760 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1128 -0.6044 0.4811 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