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
-2.7733 -0.4060 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4817 0.2889 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3658 -0.3578 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 0.2075 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0512 1.6884 -0.7991 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0882 -0.5003 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2866 0.0240 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8230 -0.9655 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 -1.1003 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5975 0.3587 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3300 0.3402 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5309 1.3673 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0373 -1.4716 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3627 0.9911 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 -0.4645 0.4608 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