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
-2.6949 0.4883 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4973 -0.4495 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3872 0.2885 -0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8918 -0.2130 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 -1.5419 -1.5619 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0023 0.4580 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2422 -0.0096 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5116 -0.0137 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9679 0.7611 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4001 1.4569 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -1.1970 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3497 -0.9379 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 1.3376 0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 0.4632 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4435 -0.8911 -0.7156 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