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
-2.3286 -0.7320 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 0.4580 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0871 -0.0051 -0.1746 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9912 0.8290 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 2.2859 -1.0215 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2957 0.4143 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4298 -0.7676 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0362 -0.8753 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7530 -1.6853 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8694 -0.5982 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5456 0.8962 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5599 1.2401 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1267 1.0717 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5784 -1.4253 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 -1.1064 1.0697 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