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
-2.2645 0.6837 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0503 -0.1494 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3443 -0.4371 0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8070 -1.2190 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -2.8291 0.5833 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0700 -0.5014 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1403 0.8223 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0894 0.2592 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6290 0.6892 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1286 1.7484 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 0.4129 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2384 -1.1078 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9632 -1.1078 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 1.4466 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 1.2892 0.4285 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