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
-1.9485 -0.4559 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 0.9299 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2837 1.0001 -0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8524 0.6985 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3258 1.7794 0.9969 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 -0.5365 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 -0.8390 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 -0.3501 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1664 -0.7859 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0364 -1.1862 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 1.6024 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 1.2830 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 -1.2212 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1846 -1.7498 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0172 -0.1686 1.0793 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