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
1.5518 0.6617 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5186 -0.4914 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3391 -0.8288 -0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8762 -1.2270 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4653 -2.7544 -0.8551 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 -0.2641 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5281 0.9034 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6183 0.7982 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3461 1.6387 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 0.6009 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 -0.1804 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -1.3632 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9047 -0.7121 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2118 1.9073 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7159 1.3113 0.5817 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