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
-2.3921 -0.5205 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3476 0.2577 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1219 0.2522 0.2783 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 0.9069 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 2.3642 -0.9103 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 0.3262 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4501 -0.8528 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0469 0.2224 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -1.0758 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9930 -1.1839 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1371 -0.1954 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6204 1.3251 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1847 0.8511 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5989 -1.3940 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4204 -1.2833 0.5909 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