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
-2.3041 0.8925 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 -0.2148 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1415 0.2572 0.3848 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7857 -0.7410 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2907 -2.0984 1.5075 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1925 -0.6182 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 0.4324 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8154 1.7944 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9190 1.1980 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 0.4746 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8548 -0.8404 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1252 -0.8755 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8598 -1.4048 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7424 0.5220 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0112 1.2220 -0.4809 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