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
-2.7658 0.3702 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.2463 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4084 0.2143 -0.4006 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8531 -0.3287 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 -1.9384 0.0474 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0227 0.5124 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2381 0.0374 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5256 -0.4558 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 1.0015 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8396 0.9853 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4522 -1.3563 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 -0.0380 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9192 1.5897 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1125 0.6698 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 -1.0172 0.1390 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