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
-1.7835 0.2942 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 -1.1297 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2327 -1.4578 0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9400 -0.7536 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -1.4125 -1.0304 S 0 0 0 0 0 0 0 0 0 0 0 0
1.1494 0.5409 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2855 1.1968 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0042 0.9707 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8923 0.4369 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7811 0.4603 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1677 -1.2763 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2044 -1.8322 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3911 1.0141 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4721 2.1650 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 0.7833 -0.2895 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