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
-2.7218 -0.0187 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 0.3740 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4728 -0.5863 -0.5186 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8968 -0.3833 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4849 -0.3268 -2.1707 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7975 -0.2251 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 -0.0371 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3525 0.6763 -0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8842 -1.0660 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1392 -0.0302 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.4326 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1869 1.3649 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 -0.2604 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4576 -0.0007 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 0.0868 1.0630 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