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
-2.2359 -0.0180 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 0.3334 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4257 -0.4576 1.1417 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6994 -0.6107 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 -1.6656 -0.8416 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 0.1583 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0129 0.0368 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7994 0.8865 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.3223 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0358 -0.7835 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2802 0.1662 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 1.4207 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 0.8756 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8820 0.6236 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1061 -0.6435 -0.8587 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