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
-2.1802 -0.4215 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5833 0.9693 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 0.9299 -0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 0.0916 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3053 -1.0281 1.4142 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 0.2217 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -0.5634 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6279 -1.1099 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2046 -0.3324 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2403 -0.8927 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4462 1.2402 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2587 1.7306 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 0.9551 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7391 -1.2991 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9662 -0.4911 -0.1865 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