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
-2.6697 -0.3404 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5569 0.3344 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 -0.3471 0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 -0.0688 0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 0.3327 2.3096 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0286 -0.1391 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2233 0.1260 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6477 0.0943 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3497 -0.2540 -1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6058 -1.4209 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4257 1.3838 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7791 0.2548 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8891 -0.4103 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3397 0.3919 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0628 0.0627 -0.3635 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