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
-1.8630 0.5464 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -0.9485 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4221 -1.0976 -0.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 -0.5907 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8926 -0.9837 1.5483 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6738 0.2403 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7103 0.6895 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2090 0.9444 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9485 0.6474 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6522 1.1097 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 -1.4082 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4969 -1.4144 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 0.4905 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 1.3150 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 0.4599 1.0023 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