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
-2.6645 -0.1929 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1753 0.0225 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4482 -0.8777 0.4136 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9349 -0.7784 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7336 -2.1885 0.1966 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6030 0.5016 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 0.5921 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0153 -0.7053 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1433 0.8029 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 -0.8205 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 -0.0343 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 1.0535 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9922 1.4022 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4997 -0.3021 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 1.5249 0.5880 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