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
2.5777 0.1442 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4200 0.3727 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 -0.6477 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7367 -0.6308 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 -1.2537 -1.9165 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -0.0777 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0838 -0.0663 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 -0.8683 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 0.8693 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5681 0.2392 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9018 1.3327 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6769 0.3808 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0102 0.3377 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0823 -0.4761 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0004 0.3440 -0.2549 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