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
-2.7633 -0.0854 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -0.1757 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 0.3674 -0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 0.3057 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9788 0.4743 1.7623 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0934 0.0946 -0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2547 0.0370 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2343 -1.0971 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7450 0.4886 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4809 0.4570 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2377 -1.2401 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 0.3692 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0240 -0.0152 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1603 -0.1231 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3857 0.1428 1.0581 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